CHEBI:181387 - (3S,5S,8S,9S,10R,13R,17R)-17-[(2R,5R)-5,6-Dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

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ChEBI Name (3S,5S,8S,9S,10R,13R,17R)-17-[(2R,5R)-5,6-Dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
ChEBI ID CHEBI:181387
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C28H48O2
Net Charge 0
Average Mass 416.690
Monoisotopic Mass 416.36543
InChI InChI=1S/C28H48O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h17-25,29H,7-16H2,1-6H3/t18-,19-,20+,21+,22-,23?,24+,25-,27-,28-/m1/s1
InChIKey NBJZGNFIZZWBOJ-VSBRHGTHSA-N
SMILES O=C1[C@@]2([C@@]([C@@]3([C@](C4[C@@]([C@](CC4)([C@@H](CC[C@H](C(C)C)C)C)[H])(CC3)C)(C1)[H])[H])(CC[C@H](O)C2)C)[H]
ChEBI Ontology
Outgoing (3S,5S,8S,9S,10R,13R,17R)-17-[(2R,5R)-5,6-Dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one (CHEBI:181387) is a ergostanoid (CHEBI:50403)
IUPAC Name
(3S,5S,8S,9S,10R,13R,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Manual Xrefs Databases
30792032 ChemSpider
C15789 KEGG COMPOUND
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