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CHEBI:218243 - Erythro(23,24)-5alpha,6alpha-epoxyergosta-8-ene-7-one-3beta,23-diol

ChEBI IDCHEBI:218243
ChEBI NameErythro(23,24)-5alpha,6alpha-epoxyergosta-8-ene-7-one-3beta,23-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O4
Net Charge0
Average Mass444.656
Monoisotopic Mass444.32396
SMILESCC(C)[C@@H](C)[C@H](O)C[C@@H](C)[C@H]1CCC2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2C3=O
InChIInChI=1S/C28H44O4/c1-15(2)17(4)22(30)13-16(3)19-7-8-20-23-21(10-11-26(19,20)5)27(6)12-9-18(29)14-28(27)25(32-28)24(23)31/h15-20,22,25,29-30H,7-14H2,1-6H3/t16-,17-,18+,19-,20?,22-,25+,26-,27-,28+/m1/s1
InChIKeyRTQWQWAJAUQCJI-NYILLWABSA-N
Species of MetaboliteComponentSourceComments
Amauroderma subresinosum (ncbitaxon:263734) - PubMed (27309390)
ChEBI Ontology
Outgoing Relation(s)
Erythro(23,24)-5alpha,6alpha-epoxyergosta-8-ene-7-one-3beta,23-diol (CHEBI:218243) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(2R,5S,7R,9R,15R,16R)-5-hydroxy-15-[(2R,4R,5R)-4-hydroxy-5,6-dimethylheptan-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-1(11)-en-10-one
Manual XrefsDatabases
78441800ChemSpider