25-Hydroxyvitamin D3 3-Glucuronide >90%

Analyte Name

25-Hydroxyvitamin D3 3-Glucuronide

CAS Number

170512-14-8

Molecular Formula

C33 H52 O8

Molecular Weight

576.76

Accurate Mass

576.37

SMILES

C=C1CC[C@H](O[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O)C/C1=C/C=C3[C@@](CC[C@]4([H])[C@H](C)CCCC(O)(C)C)([H])[C@]4(C)CCC/3

InChI

InChI=1S/C33H52O8/c1-19-10-13-23(40-31-28(36)26(34)27(35)29(41-31)30(37)38)18-22(19)12-11-21-9-7-17-33(5)24(14-15-25(21)33)20(2)8-6-16-32(3,4)39/h11-12,20,23-29,31,34-36,39H,1,6-10,13-18H2,2-5H3,(H,37,38)/b21-11+,22-12-/t20-,23+,24-,25+,26+,27+,28-,29+,31-,33-/m1/s1

IUPAC

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(((S,Z)-3-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Format

Neat