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CHEBI:227994 - Steresterone B

ChEBI IDCHEBI:227994
ChEBI NameSteresterone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O4
Net Charge0
Average Mass440.624
Monoisotopic Mass440.29266
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(OO)C3=CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C28H40O4/c1-17(2)18(3)7-8-19(4)21-11-14-28(32-31)23-16-25(30)24-15-20(29)9-12-26(24,5)22(23)10-13-27(21,28)6/h7-8,15-19,21-22,31H,9-14H2,1-6H3/b8-7+/t18-,19+,21+,22-,26+,27+,28+/m0/s1
InChIKeyOTWHNGVOOHULFH-XOAGXEAJSA-N
Species of MetaboliteComponentSourceComments
Stereum hirsutum (ncbitaxon:40492) - DOI (10.1016/j.phytol.2019.02.007)
ChEBI Ontology
Outgoing Relation(s)
Steresterone B (CHEBI:227994) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(9R,10R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-14-hydroperoxy-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthrene-3,6-dione