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CHEBI:213185 - 21-hydroxylanosta-7 : 9( 11) -24-trien-3-one

Default Structure
ChEBI IDCHEBI:213185
ChEBI Name21-hydroxylanosta-7 : 9( 11) -24-trien-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O2
Net Charge0
Average Mass438.696
Monoisotopic Mass438.34978
SMILESCC(C)=CCC[C@@H](CO)[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/C30H46O2/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/h9,11,14,21-22,25,31H,8,10,12-13,15-19H2,1-7H3/t21-,22+,25-,28+,29+,30-/m0/s1
InChIKeyFQQMLVSIEXRTOS-KTKIDDBTSA-N
Species of MetaboliteComponentSourceComments
Fomitopsis pinicola (ncbitaxon:40483) - DOI (10.1016/s0031-9422(99)00349-0)
ChEBI Ontology
Outgoing Relation(s)
21-hydroxylanosta-7 : 9( 11) -24-trien-3-one (CHEBI:213185) 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-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
10187849ChemSpider