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Chemistry, part 2

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... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > (1s,3br,4r,5ar,9ar,9br,11as)-1-[(4r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3bh,4h,5h,5ah,6h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-yl acetate
... > 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 heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > (1s,3br,4r,5ar,9ar,9br,11as)-1-[(4r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3bh,4h,5h,5ah,6h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-yl acetate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heteropentacyclic compound > (1s,3br,4r,5ar,9ar,9br,11as)-1-[(4r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3bh,4h,5h,5ah,6h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-yl acetate
organooxygen compound > ether > cyclic ether > epoxide > (1s,3br,4r,5ar,9ar,9br,11as)-1-[(4r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3bh,4h,5h,5ah,6h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-yl acetate
organooxygen compound > oxacycle > cyclic ether > epoxide > (1s,3br,4r,5ar,9ar,9br,11as)-1-[(4r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3bh,4h,5h,5ah,6h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-yl acetate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > epoxide > (1s,3br,4r,5ar,9ar,9br,11as)-1-[(4r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3bh,4h,5h,5ah,6h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-yl acetate
... > 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 heterocyclic compound > oxacycle > cyclic ether > epoxide > (1s,3br,4r,5ar,9ar,9br,11as)-1-[(4r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3bh,4h,5h,5ah,6h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-yl acetate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > epoxide > (1s,3br,4r,5ar,9ar,9br,11as)-1-[(4r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3bh,4h,5h,5ah,6h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-yl acetate
organooxygen compound > ester > carboxylic ester > acetate ester > (1s,3br,4r,5ar,9ar,9br,11as)-1-[(4r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3bh,4h,5h,5ah,6h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-yl acetate
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > (1s,3br,4r,5ar,9ar,9br,11as)-1-[(4r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3bh,4h,5h,5ah,6h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-yl acetate
... > 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 ester > acetate ester > (1s,3br,4r,5ar,9ar,9br,11as)-1-[(4r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3bh,4h,5h,5ah,6h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-yl acetate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > (1s,3br,4r,5ar,9ar,9br,11as)-1-[(4r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3bh,4h,5h,5ah,6h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-yl acetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > triterpenoid > tetracyclic triterpenoid > (1s,3br,4r,5ar,9ar,9br,11as)-1-[(4r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3bh,4h,5h,5ah,6h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-yl acetate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > tetracyclic triterpenoid > (1s,3br,4r,5ar,9ar,9br,11as)-1-[(4r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3bh,4h,5h,5ah,6h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-yl acetate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > (1s,3br,4r,5ar,9ar,9br,11as)-1-[(4r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3bh,4h,5h,5ah,6h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-yl acetate
... > 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 > organic tetracyclic compound > tetracyclic triterpenoid > (1s,3br,4r,5ar,9ar,9br,11as)-1-[(4r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3bh,4h,5h,5ah,6h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-yl acetate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > (1s,3br,4r,5ar,9ar,9br,11as)-1-[(4r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3bh,4h,5h,5ah,6h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-yl acetate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > organic tetracyclic compound > tetracyclic triterpenoid > (1s,3br,4r,5ar,9ar,9br,11as)-1-[(4r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3bh,4h,5h,5ah,6h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-yl acetate

Preferred term

(1s,3br,4r,5ar,9ar,9br,11as)-1-[(4r)-5-[(2s)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1h,2h,3bh,4h,5h,5ah,6h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-4-yl acetate  

Type

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

Broader concept

charge

  • 0

formula

  • C32H48O6

inchi

  • InChI=1S/C32H48O6/c1-18(34)37-26-16-24-28(2,3)25(36)12-14-31(24,7)23-11-13-30(6)20(9-10-22(30)32(23,26)8)19(17-33)15-21(35)27-29(4,5)38-27/h10,12,14,19-21,23-24,26-27,33,35H,9,11,13,15-17H2,1-8H3/t19?,20-,21+,23+,24-,26+,27-,30-,31+,32-/m0/s1

inchikey

  • WWUAPUNRXYKGPI-ILYBAXELSA-N

mass

  • 528.730

monoisotopicmass

  • 528.34509

smiles

  • C1=CC(C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)OC(C)=O)(C=4[C@@](CC3)([C@@](CC4)(C(CO)C[C@H]([C@H]5C(C)(C)O5)O)[H])C)C)[H])C)[H])(C)C)=O

subset

  • 2_STAR

synonym EXACT

  • (1S,3bR,4R,5aR,9aR,9bR,11aS)-1-[(4R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-1,4-dihydroxybutan-2-yl]-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-yl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:231471

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