Analyte Name

17beta-Estradiol 3-O-Benzyl 17-(2,3,4-Tri-O-acetyl-beta-D-glucuronide Methyl Ester)

CAS Number

14364-98-8

Molecular Formula

C38H46O11

Molecular Weight

678.77

Accurate Mass

678.304

SMILES

COC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@H]3[C@@H]4CCc5cc(OCc6ccccc6)ccc5[C@H]4CC[C@]23C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C

InChI

InChI=1S/C38H46O11/c1-21(39)45-32-33(46-22(2)40)35(47-23(3)41)37(49-34(32)36(42)43-5)48-31-16-15-30-29-13-11-25-19-26(44-20-24-9-7-6-8-10-24)12-14-27(25)28(29)17-18-38(30,31)4/h6-10,12,14,19,28-35,37H,11,13,15-18,20H2,1-5H3/t28-,29-,30+,31+,32+,33+,34+,35-,37-,38+/m1/s1

IUPAC

methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(8R,9S,13S,14S,17S)-13-methyl-3-phenylmethoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]oxane-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat