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CHEBI:209557 - 3beta,11-dihydroxy-24-methylene-9,11-secocholest-5-en-9,23-dione

ChEBI IDCHEBI:209557
ChEBI Name3beta,11-dihydroxy-24-methylene-9,11-secocholest-5-en-9,23-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O4
Net Charge0
Average Mass444.656
Monoisotopic Mass444.32396
SMILESC=C(C(=O)C[C@@H](C)[C@H]1CC[C@@H]([C@@H]2CC=C3C[C@@H](O)CC[C@]3(C)C2=O)[C@]1(C)CCO)C(C)C
InChIInChI=1S/C28H44O4/c1-17(2)19(4)25(31)15-18(3)23-9-10-24(28(23,6)13-14-29)22-8-7-20-16-21(30)11-12-27(20,5)26(22)32/h7,17-18,21-24,29-30H,4,8-16H2,1-3,5-6H3/t18-,21+,22+,23-,24+,27+,28-/m1/s1
InChIKeyQUOSVFHDZLKVGE-ITLVQHHPSA-N
Species of MetaboliteComponentSourceComments
Sansibia flava (ncbitaxon:2486329) - PubMed (31947850)
ChEBI Ontology
Outgoing Relation(s)
3beta,11-dihydroxy-24-methylene-9,11-secocholest-5-en-9,23-dione (CHEBI:209557) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(2S,6S,8aS)-6-hydroxy-2-[(1S,2R,3R)-2-(2-hydroxyethyl)-2-methyl-3-[(2R)-6-methyl-5-methylidene-4-oxoheptan-2-yl]cyclopentyl]-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one
Manual XrefsDatabases
81367038ChemSpider