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CHEBI:173044 - 23-demethyl-4alpha-methyl-5alpha-gorgostan-3beta-ol

ChEBI IDCHEBI:173044
ChEBI Name23-demethyl-4alpha-methyl-5alpha-gorgostan-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H52O
Net Charge0
Average Mass428.745
Monoisotopic Mass428.40182
SMILES[H][C@@]12CC[C@@]3([H])[C@H](C)[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)[C@@]1([H])C[C@]1([H])[C@H](C)C(C)C
InChIInChI=1S/C30H52O/c1-17(2)18(3)22-16-23(22)19(4)24-10-11-26-21-8-9-25-20(5)28(31)13-15-30(25,7)27(21)12-14-29(24,26)6/h17-28,31H,8-16H2,1-7H3/t18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28+,29-,30+/m1/s1
InChIKeyVIFDEEMUSKCPJQ-WIQPDEQSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
23-demethyl-4alpha-methyl-5alpha-gorgostan-3beta-ol (CHEBI:173044) has parent hydride gorgostane (CHEBI:24424)
23-demethyl-4alpha-methyl-5alpha-gorgostan-3beta-ol (CHEBI:173044) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(1R)-1-[(1R,2R)-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
LMST01060013LIPID MAPS