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CHEBI:215695 - 5alpha,8alpha-Epidioxycholesta-6,9(11),22-trien-3beta-ol

ChEBI IDCHEBI:215695
ChEBI Name5alpha,8alpha-Epidioxycholesta-6,9(11),22-trien-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O3
Net Charge0
Average Mass412.614
Monoisotopic Mass412.29775
SMILESCC(C)C/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3
InChIInChI=1S/C27H40O3/c1-18(2)7-6-8-19(3)21-9-10-22-24(21,4)13-12-23-25(5)14-11-20(28)17-26(25)15-16-27(22,23)30-29-26/h6,8,12,15-16,18-22,28H,7,9-11,13-14,17H2,1-5H3/b8-6+/t19-,20+,21-,22-,24-,25-,26-,27+/m1/s1
InChIKeyCAUMZAZCOGASOU-LRCFNPBWSA-N
Species of MetaboliteComponentSourceComments
Stereum hirsutum (ncbitaxon:40492) - PubMed (17869507)
ChEBI Ontology
Outgoing Relation(s)
5alpha,8alpha-Epidioxycholesta-6,9(11),22-trien-3beta-ol (CHEBI:215695) is a steroid (CHEBI:35341)
IUPAC Name 
(1S,2R,5R,6R,10R,13S,15S)-6,10-dimethyl-5-[(E,2R)-6-methylhept-3-en-2-yl]-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol
Manual XrefsDatabases
23306468ChemSpider