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CHEBI:209866 - Agnosterone

Default Structure
ChEBI IDCHEBI:209866
ChEBI NameAgnosterone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O
Net Charge0
Average Mass422.697
Monoisotopic Mass422.35487
SMILESCC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=1S/C30H46O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,12,15,21-22,25H,9,11,13-14,16-19H2,1-8H3/t21-,22-,25+,28-,29-,30+/m1/s1
InChIKeyXKYJBQWATZUMSB-WUELKCQHSA-N
Species of MetaboliteComponentSourceComments
Fomitopsis pinicola (ncbitaxon:40483) - DOI (10.1016/s0031-9422(99)00349-0)
ChEBI Ontology
Outgoing Relation(s)
Agnosterone (CHEBI:209866) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
10187852ChemSpider