Calcifediol CRS

Analyte Name

Calcifediol Monohydrate

CAS Number

63283-36-3

Molecular Formula

C27 H44 O2 . H2 O

Molecular Weight

418.65

Accurate Mass

418.3447

Flash Point

-20

SMILES

O.C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C

InChI

1H2/b21-11+,22-12-, /t20-,23+,24-,25+,27-, InChI=1S/C27H44O2.H2O/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29, /m1./s1, /h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3

IUPAC

(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;hydrate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

FRANCE

Tariff Code

29362900

Product Type

API

Product Format

Neat

API Family

Calcifediol Monohydrate; Cholecalciferol

Analytical Method

Monograph only