EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:187074 - 7beta-acetoxy-gorgostan-3beta,5alpha,6beta-triol

ChEBI IDCHEBI:187074
ChEBI Name7beta-acetoxy-gorgostan-3beta,5alpha,6beta-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H54O5
Net Charge0
Average Mass518.779
Monoisotopic Mass518.39712
SMILES[H][C@@]12CC[C@]([H])([C@H](C)[C@@]3([H])C[C@]3(C)[C@H](C)C(C)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C[C@]3(O)[C@H](O)[C@H](OC(C)=O)[C@@]21[H]
InChIInChI=1S/C32H54O5/c1-17(2)19(4)30(7)16-25(30)18(3)22-9-10-23-26-24(12-13-29(22,23)6)31(8)14-11-21(34)15-32(31,36)28(35)27(26)37-20(5)33/h17-19,21-28,34-36H,9-16H2,1-8H3/t18-,19+,21-,22+,23-,24-,25+,26-,27+,28+,29+,30+,31+,32-/m0/s1
InChIKeyKSWPGBOZNQWLFD-AXTSUWAQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
7beta-acetoxy-gorgostan-3beta,5alpha,6beta-triol (CHEBI:187074) has parent hydride gorgostane (CHEBI:24424)
7beta-acetoxy-gorgostan-3beta,5alpha,6beta-triol (CHEBI:187074) is a steroid (CHEBI:35341)
IUPAC Name 
[(3S,5R,6R,7R,8S,9S,10R,13R,14S,17R)-3,5,6-trihydroxy-10,13-dimethyl-17-[(1S)-1-[(1R,2R)-2-methyl-2-[(2R)-3-methylbutan-2-yl]cyclopropyl]ethyl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-yl] acetate
Manual XrefsDatabases
10270423ChemSpider
LMST01060011LIPID MAPS