Lexacalcitol
Product Code
TRC-L397700-10MG
CAS Number
Product Format
Neat
Molecular Formula
C29 H48 O4
Molecular Weight
460.689
Product Categories
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Product Information
Product Data
Analyte Name
Lexacalcitol
CAS Number
131875-08-6
Molecular Formula
C29 H48 O4
Molecular Weight
460.689
Accurate Mass
460.355
SMILES
CCC(O)(CC)CCCO[C@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)C[C@H](O)C3=C)\CCC[C@]12C
InChI
InChI=1S/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24-,25-,26+,27+,28-/m1/s1
IUPAC
(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1R)-1-(4-ethyl-4-hydroxyhexoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Storage & Transport Information
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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