CHEBI:166797 - Gorgosterol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Gorgosterol
ChEBI ID CHEBI:166797
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H50O
Net Charge 0
Average Mass 426.729
Monoisotopic Mass 426.38617
InChI InChI=1S/C30H50O/c1-18(2)20(4)30(7)17-27(30)19(3)24-10-11-25-23-9-8-21-16-22(31)12-14-28(21,5)26(23)13-15-29(24,25)6/h8,18-20,22-27,31H,9-17H2,1-7H3/t19-,20+,22-,23-,24+,25-,26-,27+,28-,29+,30+/m0/s1
InChIKey YRPMZHRSQIFCLR-PVNJCSFGSA-N
SMILES O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@@]([C@@H]([C@@]5([C@](C5)([C@@H](C(C)C)C)C)[H])C)(CC4)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C
ChEBI Ontology
Outgoing Gorgosterol (CHEBI:166797) has parent hydride gorgostane (CHEBI:24424)
Gorgosterol (CHEBI:166797) is a steroid (CHEBI:35341)
IUPAC Name
(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(1S)-1-[(1R,2R)-2-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual Xrefs Databases
90424 ChemSpider
C19655 KEGG COMPOUND
LMST01060001 LIPID MAPS
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