CHEBI:207612 - 21-hydroxylanosterol

ChEBI IDCHEBI:207612
ChEBI Name21-hydroxylanosterol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O2
Net Charge0
Average Mass442.728
Monoisotopic Mass442.38108
SMILESCC(C)=CCC[C@@H](CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
InChIInChI=1S/C30H50O2/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/h9,21-22,25-26,31-32H,8,10-19H2,1-7H3/t21-,22+,25?,26-,28+,29+,30-/m0/s1
InChIKeyNOXQLVJQLGRLCH-MSEDFXBCSA-N
Species of MetaboliteComponentSourceComments
Gloeophyllum odoratum (ncbitaxon:139427) - PubMed (30130818)
ChEBI Ontology
Outgoing Relation(s)
21-hydroxylanosterol (CHEBI:207612) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,10S,13R,14R,17R)-17-[(2R)-1-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
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17353643ChemSpider