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CHEBI:202219 - 5alpha,6alpha-epoxy-24(R)-methylcholesta-7,22-dien-3beta-ol

ChEBI IDCHEBI:202219
ChEBI Name5alpha,6alpha-epoxy-24(R)-methylcholesta-7,22-dien-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O2
Net Charge0
Average Mass412.658
Monoisotopic Mass412.33413
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C
InChIInChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25-28(30-25)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-25,29H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,25-,26+,27+,28-/m0/s1
InChIKeyKVMYKLHJBYIOKD-QYYFJRRUSA-N
Species of MetaboliteComponentSourceComments
Daedaleopsis tricolor (ncbitaxon:76330) - DOI (10.1016/s0031-9422(99)00128-4)
ChEBI Ontology
Outgoing Relation(s)
5alpha,6alpha-epoxy-24(R)-methylcholesta-7,22-dien-3beta-ol (CHEBI:202219) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1S,2R,5S,7R,9S,12R,15R,16R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-10-en-5-ol
Manual XrefsDatabases
78442540ChemSpider