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CHEBI:181452 - [(17R)-11-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] pentanoate

ChEBI IDCHEBI:181452
ChEBI Name[(17R)-11-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] pentanoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O6
Net Charge0
Average Mass446.584
Monoisotopic Mass446.26684
SMILESCCCCC(=O)O[C@]1(C(=O)CO)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C
InChIInChI=1S/C26H38O6/c1-4-5-6-22(31)32-26(21(30)15-27)12-10-19-18-8-7-16-13-17(28)9-11-24(16,2)23(18)20(29)14-25(19,26)3/h13,18-20,23,27,29H,4-12,14-15H2,1-3H3/t18?,19?,20?,23?,24?,25?,26-/m0/s1
InChIKeyFZCHYNWYXKICIO-MDDFJDPJSA-N
ChEBI Ontology
Outgoing Relation(s)
[(17R)-11-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] pentanoate (CHEBI:181452) is a 21-hydroxy steroid (CHEBI:35344)
IUPAC Name 
[(17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] pentanoate
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