1alpha,25-Dihydroxy Vitamin D2 25-beta-D-Glucuronide

Analyte Name

1alpha,25-Dihydroxy Vitamin D2 25-beta-D-Glucuronide

Molecular Formula

C34 H52 O9

Molecular Weight

604.771

Accurate Mass

604.361

SMILES

C[C@H](\C=C\[C@H](C)C(C)(C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)[C@H]2CC[C@H]3\C(=C\C=C/4\C[C@@H](O)C[C@H](O)C4=C)\CCC[C@]23C

InChI

InChI=1S/C34H52O9/c1-18(9-10-19(2)33(4,5)43-32-29(39)27(37)28(38)30(42-32)31(40)41)24-13-14-25-21(8-7-15-34(24,25)6)11-12-22-16-23(35)17-26(36)20(22)3/h9-12,18-19,23-30,32,35-39H,3,7-8,13-17H2,1-2,4-6H3,(H,40,41)/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,27+,28+,29-,30+,32+,34-/m1/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[(E,3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-en-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat