Ergocalciferol CRS
Product Code
EPE0900000
CAS Number
Product Format
Neat
Molecular Formula
C28 H44 O
Molecular Weight
396.65
API Family
ErgocalciferolProduct Categories
Product Type
APIPrice and availability
Documentation
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Product Information
Product Data
Analyte Name
Ergocalciferol
CAS Number
50-14-6
Molecular Formula
C28 H44 O
Molecular Weight
396.65
Accurate Mass
396.3392
Flash Point
-20.0
SMILES
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C
InChI
InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1
IUPAC
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Storage & Transport Information
Storage Temperature
-20°C
Shipping Temperature
Ice pack (-20°C)
Country of Origin
FRANCE
Tariff Code
29362900
Product Attributes
Product Type
API
Product Format
Neat
API Family
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