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CHEBI:215168 - 5alpha, 6alpha;8alpha, 9alpha-diepoxy-(22E, 24R)-ergost-22-ene-3beta, 7alpha-diol

ChEBI IDCHEBI:215168
ChEBI Name5alpha, 6alpha;8alpha, 9alpha-diepoxy-(22E, 24R)-ergost-22-ene-3beta, 7alpha-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O4
Net Charge0
Average Mass444.656
Monoisotopic Mass444.32396
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@]13O[C@@]21[C@H](O)[C@@H]1O[C@@]12C[C@@H](O)CC[C@]32C
InChIInChI=1S/C28H44O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-24(20,5)13-14-27-25(6)12-11-19(29)15-26(25)23(31-26)22(30)28(21,27)32-27/h7-8,16-23,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21+,22+,23-,24+,25-,26-,27-,28+/m0/s1
InChIKeyKAQBBVJKPGNKRN-LKAVKBBMSA-N
Species of MetaboliteComponentSourceComments
Amanita pantherina (ncbitaxon:67721) - DOI (10.1248/cpb.47.847)
ChEBI Ontology
Outgoing Relation(s)
5alpha, 6alpha;8alpha, 9alpha-diepoxy-(22E, 24R)-ergost-22-ene-3beta, 7alpha-diol (CHEBI:215168) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1S,2S,5S,7R,9S,10R,11R,12R,15R,16R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8,19-dioxahexacyclo[9.7.1.01,11.02,7.07,9.012,16]nonadecane-5,10-diol
Manual XrefsDatabases
8750695ChemSpider