Analyte Name

Estetrol Sulfate Sodium Salt

CAS Number

33965-34-3

Molecular Formula

C18 H24 O7 S

Molecular Weight

384.44396

Accurate Mass

384.1243

SMILES

C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=CC(OS(=O)(=O)O)=CC4)(CC1)[H])[H])([C@@H](O)[C@@H](O)[C@@H]2O)[H]

InChI

InChI=1S/C18H24O7S/c1-18-7-6-12-11-5-3-10(25-26(22,23)24)8-9(11)2-4-13(12)14(18)15(19)16(20)17(18)21/h3,5,8,12-17,19-21H,2,4,6-7H2,1H3,(H,22,23,24)/t12-,13-,14-,15-,16-,17+,18+/m1/s1

IUPAC

[(8R,9S,13S,14S,15R,16R,17R)-15,16,17-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate

Country of Origin

CANADA

Product Type

API

Product Format

Neat