Analyte Name

Estriol 16-O-beta-D-Glucuronide

CAS Number

1852-50-2

Molecular Formula

C24H32O9

Molecular Weight

464.51

Accurate Mass

464.2

SMILES

[H][C@@]12CCC3=CC(O)=CC=C3[C@]1(CC[C@]4([C@@]2([H])C[C@H]([C@@H]4O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(O)=O)O)O)O)C)[H]

InChI

InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+/m1/s1

IUPAC

(2S,3S,4S,5R,6R)-6-(((8R,9S,13S,14S,16R,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat