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CHEBI:200580 - 5alpha,8alpha-epidioxyergosta-6,22-dien-3beta-ol

ChEBI IDCHEBI:200580
ChEBI Name5alpha,8alpha-epidioxyergosta-6,22-dien-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O3
Net Charge0
Average Mass428.657
Monoisotopic Mass428.32905
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3CC[C@@]21C)OO4
InChIInChI=1S/C28H44O3/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/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23?,24?,25+,26+,27+,28-/m0/s1
InChIKeyVXOZCESVZIRHCJ-PHICIKCOSA-N
Species of MetaboliteComponentSourceComments
Daedaleopsis tricolor (ncbitaxon:76330) - DOI (10.1016/s0031-9422(00)00130-8)
ChEBI Ontology
Outgoing Relation(s)
5alpha,8alpha-epidioxyergosta-6,22-dien-3beta-ol (CHEBI:200580) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1S,5R,6R,10R,13S,15S)-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]nonadec-18-en-13-ol
Manual XrefsDatabases
4976979ChemSpider