2-Nor-1,3-seco-1,25-dihydroxyvitamin D3
[CAS# 113490-37-2]

Identification

• Name: 2-Nor-1,3-seco-1,25-dihydroxyvitamin D3
• Synonyms: (3E)-3-[(2E)-2-[(1R,3Ar,7As)-1-(5-Hydroxy-1,5-Dimethyl-Hexyl)-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-2-Methylene-Pentane-1,5-Diol; (3E)-3-[(2E)-2-[(1R,3Ar,7As)-1-(5-Hydroxy-1,5-Dimethylhexyl)-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-2-Methylenepentane-1,5-Diol; (3E)-3-[(2E)-2-[(1R,3Ar,7As)-1-(6-Hydroxy-6-Methyl-Heptan-2-Yl)-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-2-Methylidene-Pentane-1,5-Diol
• Molecular Formula: C₂₆H₄₄O₃
• Molecular Weight: 404.63
• CAS Registry Number: 113490-37-2
• SMILES: [C@@]12([C@@H](\C(CCC1)=C\C=C(C(CO)=C)/CCO)CC[C@@H]2C(CCCC(O)(C)C)C)C
• InChI: 1S/C26H44O3/c1-19(8-6-15-25(3,4)29)23-12-13-24-22(9-7-16-26(23,24)5)11-10-21(14-17-27)20(2)18-28/h10-11,19,23-24,27-29H,2,6-9,12-18H2,1,3-5H3/b21-10+,22-11+/t19?,23-,24-,26+/m1/s1
• InChIKey: PDCWVQZLMVLGLG-SHAYHDQHSA-N

Properties

• Density: 1.045g/cm³ (Cal.)
• Boiling point: 571.812°C at 760 mmHg (Cal.)
• Flash point: 242.65°C (Cal.)