Analyte Name

6alpha-Hydroxy Gestrinone 2,3,4-Tri-O-acetyl-alpha-D-glucuronic Acid Methyl Ester

Molecular Formula

C34 H40 O12

Molecular Weight

640.674

Accurate Mass

640.252

SMILES

CC[C@]12C=CC3=C4CCC(=O)C=C4[C@H](C[C@H]3[C@@H]1CC[C@@]2(O)C#C)O[C@H]5O[C@H]([C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]5OC(=O)C)C(=O)OC

InChI

InChI=1S/C34H40O12/c1-7-33-13-11-22-21-10-9-20(38)15-24(21)26(16-23(22)25(33)12-14-34(33,40)8-2)45-32-30(44-19(5)37)28(43-18(4)36)27(42-17(3)35)29(46-32)31(39)41-6/h2,11,13,15,23,25-30,32,40H,7,9-10,12,14,16H2,1,3-6H3/t23-,25+,26+,27-,28-,29-,30+,32+,33+,34+/m1/s1

IUPAC

methyl (2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[[(6S,8S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-3-oxo-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-6-yl]oxy]oxane-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat