PREGNENOLONE SULFATE, SODIUM SALT

Molecular Formula: C21H31NaO5S


InChI: InChI=1/C21H32O5S.Na/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3;/h4,15-19H,5-12H2,1-3H3,(H,23,24,25);/q;+1/p-1/t15?,16u,17u,18u,19u,20-,21+;/m0./s1/fC21H31O5S.Na/q-1;m

InChIKey: InChIKey=QQVJEIZJHDPTSH-LNMMIZHNDE
SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)[O-])C)C.[Na+]

Names:
    PREGNENOLONE SULFATE, SODIUM SALT
    sodium (10R,13S)-17-acetyl-10,13-dimethyl-3-sulfonatooxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

Registries:
    PubChem CID 5702255
    PubChem ID 8150032