11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 17-butyrate
Molecular Formula:
C25H36O6
InChI: InChI=1/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1
InChIKey: InChIKey=BMCQMVFGOVHVNG-TUFAYURCBW
SMILES: CCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)CO
Names:
MLS000028716
SMR000058859
11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 17-butyrate
[(8R,9R,10R,11S,13S,14S,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] butanoate
Registries:
PubChem CID 26133
PubChem ID 11533027
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