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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > cholestanoid > (3r,5s,7r,9s,10s,12s,13r,17r)-17-((2r)-4-(3-(hydroxymethyl)oxetan-2-yl)butan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > (3r,5s,7r,9s,10s,12s,13r,17r)-17-((2r)-4-(3-(hydroxymethyl)oxetan-2-yl)butan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
... > 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 > cholestanoid > (3r,5s,7r,9s,10s,12s,13r,17r)-17-((2r)-4-(3-(hydroxymethyl)oxetan-2-yl)butan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > (3r,5s,7r,9s,10s,12s,13r,17r)-17-((2r)-4-(3-(hydroxymethyl)oxetan-2-yl)butan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholestanoid > (3r,5s,7r,9s,10s,12s,13r,17r)-17-((2r)-4-(3-(hydroxymethyl)oxetan-2-yl)butan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol

Preferred term

(3r,5s,7r,9s,10s,12s,13r,17r)-17-((2r)-4-(3-(hydroxymethyl)oxetan-2-yl)butan-2-yl)-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol  

Type

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

Broader concept

charge

  • 0

formula

  • C27H46O5

inchi

  • InChI=1S/C27H46O5/c1-15(4-7-23-16(13-28)14-32-23)19-5-6-20-25-21(12-24(31)27(19,20)3)26(2)9-8-18(29)10-17(26)11-22(25)30/h15-25,28-31H,4-14H2,1-3H3/t15-,16?,17+,18-,19-,20+,21+,22-,23?,24+,25+,26+,27-/m1/s1

inchikey

  • PRQADQZRIHRYCH-XQVYDTGTSA-N

mass

  • 450.660

monoisotopicmass

  • 450.33452

smiles

  • O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC5OCC5CO)C)[H])[H])C

subset

  • 2_STAR

synonym EXACT

  • (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-4-[3-(hydroxymethyl)oxetan-2-yl]butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181780

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