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... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > cholanoid > bile acids > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > bile acids > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > bile acids > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > bile acids > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholanoid > bile acids > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > bile acids > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > hydroxy steroid > bile acids > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > bile acids > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > hydroxy steroid > bile acids > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > bile acids > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > bile acids > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > bile acids > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > hydroxy steroid > bile acids > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > hydroxy-5beta-cholanic acid > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy-5beta-cholanic acid > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > 5beta steroid > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > 5beta steroid > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > 5beta steroid > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > 5beta steroid > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > 5beta steroid > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > cholanoid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholanoid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > steroid acid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid acid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > steroid acid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid acid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid acid > cholanic acids > 5beta-cholanic acids > hydroxy-5beta-cholanic acid > bile acid > (3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate

Preferred term

(3r,5r,6r,7s,9s,10r,13r,17r)-17-((r)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,6,7-triyl triacetate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C31H48O8

inchi

  • InChI=1S/C31H48O8/c1-17(8-11-26(35)36-7)22-9-10-23-27-24(13-15-30(22,23)5)31(6)14-12-21(37-18(2)32)16-25(31)28(38-19(3)33)29(27)39-20(4)34/h17,21-25,27-29H,8-16H2,1-7H3/t17-,21?,22-,23+,24+,25+,27+,28?,29?,30-,31-/m1/s1

inchikey

  • SCZJGLWPRVUGAT-DXVIVOHRSA-N

mass

  • 548.717

monoisotopicmass

  • 548.33492

smiles

  • O(C1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(OC)=O)C)[H])(CC[C@@]2([C@@]4([C@](C1OC(=O)C)(CC(OC(=O)C)CC4)[H])C)[H])C)[H])[H])C(=O)C

subset

  • 2_STAR

synonym EXACT

  • methyl (4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-3,6,7-triacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181168

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