Cortisol, 21- (2-chloro-4-nitrobenzoate)

Molecular Formula: C28H32ClNO8


InChI: InChI=1/C28H32ClNO8/c1-26-9-7-17(31)11-15(26)3-5-18-20-8-10-28(35,27(20,2)13-22(32)24(18)26)23(33)14-38-25(34)19-6-4-16(30(36)37)12-21(19)29/h4,6,11-12,18,20,22,24,32,35H,3,5,7-10,13-14H2,1-2H3/t18-,20-,22-,24+,26-,27-,28-/m0/s1

InChIKey: InChIKey=YMUFSARHPRKWOR-JKJPNWQSBS
SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)C5=C(C=C(C=C5)[N+](=O)[O-])Cl)O)C)O

Names:
    Cortisol, 21- (2-chloro-4-nitrobenzoate)
    Cortisol, 21-(2-chloro-4-nitrobenzoate
    NSC17251
    Pregn-4-ene-3, 20-dione, 11.beta.17,21-trihydroxy-, 21- (2-chloro-4-nitrobenzoate)
    Pregn-4-ene-3,20-dione, 11.beta., 17,21-trihydroxy-, 21-(2-chloro-4-nitrobenzoate
    U 6880
    [2-[(8R,9R,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 2-chloro-4-nitro-benzoate

Registries:
    PubChem CID 226613
    PubChem ID 80612