Analyte Name

Secalciferol 24-Glucuronide

CAS Number

203737-01-3

Molecular Formula

C33H52O9

Molecular Weight

592.76

Accurate Mass

592.36

SMILES

C[C@@]12[C@](CC[C@]2([H])[C@H](C)CC[C@H](C(C)(O)C)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)C(O)=O)([H])/C(CCC1)=C/C=C4C(CC[C@@H](C\4)O)=C

InChI

InChI=1S/C33H52O9/c1-18-8-12-22(34)17-21(18)11-10-20-7-6-16-33(5)23(13-14-24(20)33)19(2)9-15-25(32(3,4)40)41-31-28(37)26(35)27(36)29(42-31)30(38)39/h10-11,19,22-29,31,34-37,40H,1,6-9,12-17H2,2-5H3,(H,38,39)/b20-10+,21-11-/t19-,22+,23-,24+,25-,26+,27+,28-,29+,31-,33-/m1/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat