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CHEBI:231175 - 24(28)-Dehydromakisterone

Default Structure
ChEBI IDCHEBI:231175
ChEBI Name24(28)-Dehydromakisterone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O7
Net Charge0
Average Mass492.653
Monoisotopic Mass492.30870
SMILESC=C(C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C)C(C)(C)O
InChIInChI=1S/C28H44O7/c1-15(24(2,3)33)11-23(32)27(6,34)22-8-10-28(35)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,16,18,20-23,30-35H,1,7-11,13-14H2,2-6H3/t16?,18-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1
InChIKeyXTSYLJLNVWBIFH-RPAREISOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
24(28)-Dehydromakisterone (CHEBI:231175) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Manual XrefsDatabases
59696424ChemSpider
HMDB0302988HMDB