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CHEBI:226422 - 21-hydroxylanosta-8,24-dien-3-one

Default Structure
ChEBI IDCHEBI:226422
ChEBI Name21-hydroxylanosta-8,24-dien-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O2
Net Charge0
Average Mass440.712
Monoisotopic Mass440.36543
SMILESCC(C)=CCC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C30H48O2/c1-20(2)9-8-10-21(19-31)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,21-22,25,31H,8,10-19H2,1-7H3/t21-,22+,25-,28+,29+,30-/m0/s1
InChIKeyOEQYASIYRZNOIT-KTKIDDBTSA-N
Species of MetaboliteComponentSourceComments
Fomitopsis pinicola (ncbitaxon:40483) - DOI (10.1039/jr9570003437)
ChEBI Ontology
Outgoing Relation(s)
21-hydroxylanosta-8,24-dien-3-one (CHEBI:226422) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5R,10S,13R,14R,17R)-17-[(2R)-1-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
10187848ChemSpider