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CHEBI:209551 - 3beta,11-dihydroxy-24-methyl-9,11-secocholest-5-en-9,23-dione

ChEBI IDCHEBI:209551
ChEBI Name3beta,11-dihydroxy-24-methyl-9,11-secocholest-5-en-9,23-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O4
Net Charge0
Average Mass446.672
Monoisotopic Mass446.33961
SMILESCC(C)C(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
InChIInChI=1S/C28H46O4/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/h7,17-19,21-24,29-30H,8-16H2,1-6H3/t18-,19?,21+,22+,23-,24+,27+,28-/m1/s1
InChIKeyDTXLVIMKIUDVAU-IGGZIGBYSA-N
Species of MetaboliteComponentSourceComments
Sansibia flava (ncbitaxon:2486329) - PubMed (31947850)
ChEBI Ontology
Outgoing Relation(s)
3beta,11-dihydroxy-24-methyl-9,11-secocholest-5-en-9,23-dione (CHEBI:209551) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(2S,6S,8aS)-2-[(1S,2R,3R)-3-[(2R)-5,6-dimethyl-4-oxoheptan-2-yl]-2-(2-hydroxyethyl)-2-methylcyclopentyl]-6-hydroxy-8a-methyl-2,3,5,6,7,8-hexahydronaphthalen-1-one
Manual XrefsDatabases
81367037ChemSpider