Vitamin D2 beta-D-Glucuronide Sodium Salt

Product Specifications

CAS Number

85701-30-0

Hazard Statement

Harmful if swallowed

Smiles

[Na+].CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@H](CCC3=C)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)[O-])\CCC[C@]12C

Molecular Formula

C34 H51 O7 . Na

Molecular Weight

594.754

InChI

InChI=1S/C34H52O7.Na/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-34(26,27)6)12-13-24-18-25(14-11-21(24)4)40-33-30(37)28(35)29(36)31(41-33)32(38)39;/h9-10,12-13,19-20,22,25-31,33,35-37H,4,7-8,11,14-18H2,1-3,5-6H3,(H,38,39);/q;+1/p-1/b10-9+,23-12+,24-13-;/t20-,22+,25-,26+,27-,28-,29-,30+,31-,33+,34+;/m0./s1

Additionnal Information

IUPAC name: sodium;(2S,3S,4S,5R,6R)-6-[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-3,4,5-trihydroxyoxane-2-carboxylate