CHEBI:182581 - (3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R,5S)-5,7-Dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol

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ChEBI Name (3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R,5S)-5,7-Dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
ChEBI ID CHEBI:182581
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H48O5
Net Charge 0
Average Mass 452.676
Monoisotopic Mass 452.35017
InChI InChI=1S/C27H48O5/c1-15(5-8-22(30)16(2)14-28)19-6-7-20-25-21(13-24(32)27(19,20)4)26(3)10-9-18(29)11-17(26)12-23(25)31/h15-25,28-32H,5-14H2,1-4H3/t15?,16?,17?,18-,19-,20+,21+,22+,23-,24+,25+,26?,27?/m1/s1
InChIKey CPKBPCHJXMSTOE-VUUOTSKNSA-N
SMILES O[C@@H]1C2([C@]([C@]3([C@@](C4(C(C[C@H]3O)C[C@H](O)CC4)C)(C1)[H])[H])(CC[C@@H]2C(CC[C@H](O)C(CO)C)C)[H])C
ChEBI Ontology
Outgoing (3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((2R,5S)-5,7-Dihydroxy-6-methylheptan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol (CHEBI:182581) is a steroid (CHEBI:35341)
IUPAC Name
(3R,7R,8R,9S,12S,14S,17R)-17-[(5S)-5,7-dihydroxy-6-methylheptan-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