Calcifediol

Datasheet MSDS
Catalog Number
ANC05896
Product Name
Calcifediol
Structure
Calcifediol
CAS Number
19356-17-3
IUPAC Name
(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
Synonyms
25-hydroxyCholecalciferol; RO8-8892; RovimixHy-D; U32070E; 25-hydroxyVitaminD3; 25-OHVitaminD3; Calcifediol.
Molecular Formula
C27H44O2
Molecular Weight
400.64
Appearance
white needled crystal
Purity
>98%
Melting Point
75-93°C
SMILES
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C
InChI
InChI=1S/C27H44O2/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/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1
InChI Key
JWUBBDSIWDLEOM-DTOXIADCSA-N
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