Calcipotriol monohydrate CRS
Product Code
EPY0000473
CAS Number
Product Format
Neat
Molecular Formula
C27 H40 O3 . H2 O
Molecular Weight
430.62
API Family
Calcipotriol MonohydrateProduct Categories
Product Type
APIPrice and availability
Product Information
Product Data
Analyte Name
Calcipotriol monohydrate
CAS Number
147657-22-5
Molecular Formula
C27 H40 O3 . H2 O
Molecular Weight
430.62
Accurate Mass
430.3083
Flash Point
5.0
SMILES
O.C[C@H](\C=C\[C@@H](O)C1CC1)[C@H]2CC[C@H]3\C(=C\C=C/4\C[C@@H](O)C[C@H](O)C4=C)\CCC[C@]23C
InChI
/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3, 1H2/b13-6+,19-7+,21-10-, InChI=1S/C27H40O3.H2O/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2, /m1./s1, /t17-,22-,23-,24+,25-,26+,27-
IUPAC
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;hydrate
Storage & Transport Information
Storage Temperature
-20°C
Shipping Temperature
Ice pack (-20°C)
Country of Origin
FRANCE
Tariff Code
29061900
Product Attributes
Product Type
API
Product Format
Neat
API Family
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