Calcifediol CRS
Product Code
EPC0166000
CAS Number
Product Format
Neat
Molecular Formula
C27 H44 O2 . H2 O
Molecular Weight
418.65
Product Categories
Product Type
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Product Information
Product Data
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
-20.0
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-, 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, /t20-,23+,24-,25+,27-, /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 & Transport Information
Storage Temperature
-20°C
Shipping Temperature
Ice pack (-20°C)
Country of Origin
FRANCE
Product Attributes
Product Type
API
Product Format
Neat
API Family
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