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Alfacalcidol

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For Research Use Only | Not For Clinical Use
CATAPS41294568
CAS41294-56-8
Structure
SynonymsEtalpha,Alfacalcidol, 1alpha(OH)D3, Oxydevit, 1-Hydroxycholecalciferol, (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-Dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol, Alpharol, 1alpha-Hydroxycholecalciferol, Un Alpha, 1-Hydroxyvitamin D3, Tevabone, Bondiol, Alpha D3, Alphacalcidol, (5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta-diol, 9,10-Secocholesta-5,7,10(19)-triene-1,3-diol, (1alpha,3beta,5Z,7E)- (9CI), Alfarol, Un Alfa, EinsAlpha, alpha-Calcidol, 1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3R)-, 1alpha-Hydroxyvitamin D3, (1S)-Hydroxycalciol
IUPAC Name(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Molecular Weight400.64
Molecular FormulaC27H44O2
Canonical SMILESCC(C)CCC[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
InChIInChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1
Accurate Mass400.3341
FormatNeat
  • Verification code
CATSizeShippingStorage ConditionsDescription
APS41294568-5MG 5MG Ice pack (-20°C) -20°C API Family: Matrix - API Family See respective official monograph(s); Product Type: API; Subcategory: European Pharmacopoeia (Ph. Eur.) Inquiry
APS41294568-1MG 1MG Blue Ice -20°C Freezer Subcategory: Vitamins, Vitamins and derivatives Inquiry
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