1,25-Dihydroxyvitamin D3-13C3 (25,26,27-13C3)

Analyte Name

1,25-Dihydroxyvitamin D3-13C3 (25,26,27-13C3)

Molecular Formula

13C3 C24 H44 O3

Molecular Weight

419.61

Accurate Mass

419.3391

SMILES

[13CH3][13C]([13CH3])(O)CCC[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)C[C@H](O)C3=C)\CCC[C@]12C

InChI

InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1/i3+1,4+1,26+1

IUPAC

(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-(1^{13}C)methyl(6,7-^{13}C_{2})heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

SIL Type

Carbon, Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

UNITED STATES

Product Format

Single Solution