Analyte Name

5a-Pregnan-3a,20a-diol 3-glucuronide

Molecular Formula

C27H44O8

Molecular Weight

496.64

SMILES

C[C@@]12[C@](CC[C@@]2([C@@H](O)C)[H])([H])[C@]3([H])CC[C@@]4([H])C[C@H](O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@@]3([H])CC1

InChI

InChI=1S/C27H44O8/c1-13(28)17-6-7-18-16-5-4-14-12-15(8-10-26(14,2)19(16)9-11-27(17,18)3)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h13-23,25,28-31H,4-12H2,1-3H3,(H,32,33)/t13-,14-,15+,16-,17+,18-,19-,20-,21-,22+,23-,25+,26-,27+/m0/s1/i1D3,13D,17D

Country of Origin

CANADA

Product Format

Neat