CHEBI:231175 - 24(28)-Dehydromakisterone

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 24(28)-Dehydromakisterone
ChEBI ID CHEBI:231175
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H44O7
Net Charge 0
Average Mass 492.653
Monoisotopic Mass 492.30870
InChI InChI=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
InChIKey XTSYLJLNVWBIFH-RPAREISOSA-N
SMILES O[C@]12[C@@]([C@H](CC1)[C@@](O)([C@H](O)CC(C(O)(C)C)=C)C)(CCC3[C@@]4([C@@H](C[C@@H](O)[C@@H](O)C4)C(=O)C=C23)C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
59696424 ChemSpider
HMDB0302988 HMDB
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