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CHEBI:198465 - Fomentarol C

ChEBI IDCHEBI:198465
ChEBI NameFomentarol C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H50O3
Net Charge0
Average Mass458.727
Monoisotopic Mass458.37600
SMILESCCO[C@@H]1C=C2[C@@H]3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O
InChIInChI=1S/C30H50O3/c1-8-33-27-17-23-25-12-11-24(21(5)10-9-20(4)19(2)3)28(25,6)15-14-26(23)29(7)16-13-22(31)18-30(27,29)32/h9-10,17,19-22,24-27,31-32H,8,11-16,18H2,1-7H3/b10-9+/t20-,21+,22-,24+,25-,26-,27+,28+,29+,30-/m0/s1
InChIKeyAOULALMVQHSBFD-RZNWTAFTSA-N
Species of MetaboliteComponentSourceComments
Fomes fomentarius (ncbitaxon:40442) - PubMed (23747096)
ChEBI Ontology
Outgoing Relation(s)
Fomentarol C (CHEBI:198465) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3S,5R,6R,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6-ethoxy-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5-diol
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78443469ChemSpider