Analyte Name

1,25-Dihydroxyprevitamin D3

Molecular Formula

C27 H44 O2

Molecular Weight

400.637

Accurate Mass

400.334

SMILES

CC(C)CCC[C@@H](C)C1CCC2C(=CCC[C@]12C)\C=C/C3=C(C)C(O)C[C@H](O)C3

InChI

InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h10-12,18-19,23-26,28-29H,6-9,13-17H2,1-5H3/b12-11-/t19-,23-,24?,25?,26?,27-/m1/s1

IUPAC

(1R)-5-[(Z)-2-[(7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-4-ene-1,3-diol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat