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CHEBI:191170 - Turkesterone

ChEBI IDCHEBI:191170
ChEBI NameTurkesterone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O8
Net Charge0
Average Mass496.641
Monoisotopic Mass496.30362
SMILES[H][C@]1([C@@](C)(O)[C@H](O)CCC(C)(C)O)CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])[C@H](O)C[C@]12C
InChIInChI=1S/C27H44O8/c1-23(2,33)8-7-21(32)26(5,34)20-6-9-27(35)15-11-16(28)14-10-17(29)18(30)12-24(14,3)22(15)19(31)13-25(20,27)4/h11,14,17-22,29-35H,6-10,12-13H2,1-5H3/t14-,17+,18-,19+,20-,21+,22+,24-,25+,26+,27+/m0/s1
InChIKeyWSBAGDDNVWTLOM-XHZKDPLLSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
Tapinella panuoides (ncbitaxon:80604) - DOI (10.1016/s0031-9422(98)00448-8)
ChEBI Ontology
Outgoing Relation(s)
Turkesterone (CHEBI:191170) is a steroid (CHEBI:35341)
IUPAC Names 
(2S,3R,5R,9R,10R,11R,13R,14S,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
(2S,3R,5R,10R,11R,13R,14S,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Manual XrefsDatabases
10232962ChemSpider
78442542ChemSpider
Registry NumbersSources
CAS:41451-87-0ChemIDplus