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CHEBI:197700 - 5alpha,8alpha-epidioxy-24(R)-methylcholesta-6,22-dien-3beta-ol

ChEBI IDCHEBI:197700
ChEBI Name5alpha,8alpha-epidioxy-24(R)-methylcholesta-6,22-dien-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O3
Net Charge0
Average Mass430.673
Monoisotopic Mass430.34470
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23CC[C@]2(C[C@@H](O)CC[C@]12C)OO3
InChIInChI=1S/C28H46O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,18-24,29H,9-17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1
InChIKeyDPGGKQMEXXPPJG-KGHQQZOUSA-N
Species of MetaboliteComponentSourceComments
Gloeophyllum odoratum (ncbitaxon:139427) - DOI (10.1016/s0031-9422(99)00128-4)
ChEBI Ontology
Outgoing Relation(s)
5alpha,8alpha-epidioxy-24(R)-methylcholesta-6,22-dien-3beta-ol (CHEBI:197700) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1S,2R,5R,6R,9R,10R,13S,15R)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadecan-13-ol
Manual XrefsDatabases
78442437ChemSpider