Calcifediol Monohydrate
Product Code
MM1549.00
CAS Number
Product Format
Neat
Molecular Formula
C27 H44 O2 . H2 O
Molecular Weight
418.65
Product Categories
Mikromol, API Reference Standards & Research Materials, Impurity Reference Materials , Vitamins and derivatives
Drug Type
Bone Disease Agents; Vitamins
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- Product Name: Calcifediol Monohydrate
- Product Code: MM1549.00
- CAS Number: 63283-36-3
- Brand: Mikromol
Documentation
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Product Information
Analyte 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
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
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;/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3;1H2/b21-11+,22-12-;/t20-,23+,24-,25+,27-;/m1./s1
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
Product Data
Storage Temperature
-18°C
Shipping Temperature
Ice pack (-20°C)
Country of Origin
GERMANY
Product Type
API; Impurity
Product Format
Neat
API Family
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