1,24,26-Trihydroxy-delta 22-Vitamin D3
[CAS# 101558-90-1]

Identification

• Name: 1,24,26-Trihydroxy-delta 22-Vitamin D3
• Synonyms: (1R,3S,5Z)-5-[(2Z)-2-[(1R,3As,7Ar)-1-[(E,1R,5S)-5,6-Dihydroxy-1,5-Dimethyl-Hex-2-Enyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1R,3S,5Z)-5-[(2Z)-2-[(1R,3As,7Ar)-1-[(E,1R,5S)-5,6-Dihydroxy-1,5-Dimethylhex-2-Enyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (1R,3S,5Z)-5-[(2Z)-2-[(1R,3As,7Ar)-1-[(E,2R,6S)-6,7-Dihydroxy-6-Methyl-Hept-3-En-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
• Molecular Formula: C₂₇H₄₂O₄
• Molecular Weight: 430.63
• CAS Registry Number: 101558-90-1
• SMILES: [C@]13([C@H](\C(CCC1)=C/C=C/2C([C@@H](O)C[C@H](O)C2)=C)CC[C@@H]3[C@@H](\C=C\C[C@](O)(CO)C)C)C
• InChI: 1S/C27H42O4/c1-18(7-5-13-26(3,31)17-28)23-11-12-24-20(8-6-14-27(23,24)4)9-10-21-15-22(29)16-25(30)19(21)2/h5,7,9-10,18,22-25,28-31H,2,6,8,11-17H2,1,3-4H3/b7-5+,20-9-,21-10-/t18-,22-,23-,24+,25+,26+,27-/m1/s1
• InChIKey: JYHXCOMHKCOBKF-ZYMHPPEVSA-N

Properties

• Density: 1.126g/cm³ (Cal.)
• Boiling point: 615.089°C at 760 mmHg (Cal.)
• Flash point: 263.162°C (Cal.)