Substance S

PubChem Notes:

Cortodoxone 17,21-Dihydroxypregn-4-ene-3,20-dione. A 17-hydroxycorticosteroid with glucocorticoid and anti-inflammatory activities.

Molecular Formula: C₂₁H₃₀O₄

InChI: InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15u,16u,17u,19u,20u,21-/m0/s1

InChIKey: InChIKey=WHBHBVVOGNECLV-VXYYBIGXBH
SMILES: CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(=O)CO)O)C

Names:
    Cortexolone
    Cortisol, 11-deoxy-
    CORTODOXONE
    Reichstein S
    Reichstein's compound S
    Substance S
    (17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
    11-Deoxyhydrocortisone
    11-Desoxycortisol
    11-Desoxyhydrocortisone
    11-Dioxycortisol

Registries:
PubChem CID 9050
PubChem ID 152229