1,24,25,28-Tetrahydroxyvitamin D2
[CAS# 103305-10-8]

Identification

• Name: 1,24,25,28-Tetrahydroxyvitamin D2
• Synonyms: (2S)-2-[(E,3R)-3-[(1R,3As,4Z,7Ar)-4-[(2Z)-2-[(3S,5R)-3,5-Dihydroxy-2-Methylene-Cyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]But-1-Enyl]-3-Methyl-Butane-1,2,3-Triol; (2S)-2-[(E,3R)-3-[(1R,3As,4Z,7Ar)-4-[(2Z)-2-[(3S,5R)-3,5-Dihydroxy-2-Methylenecyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]But-1-Enyl]-3-Methylbutane-1,2,3-Triol; (2S)-2-[(E,3R)-3-[(1R,3As,4Z,7Ar)-4-[(2Z)-2-[(3S,5R)-3,5-Dihydroxy-2-Methylidene-Cyclohexylidene]Ethylidene]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-1-Yl]But-1-Enyl]-3-Methyl-Butane-1,2,3-Triol
• Molecular Formula: C₂₈H₄₄O₅
• Molecular Weight: 460.65
• CAS Registry Number: 103305-10-8
• 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@@](O)(C(O)(C)C)CO)C)C
• InChI: 1S/C28H44O5/c1-18(12-14-28(33,17-29)26(3,4)32)23-10-11-24-20(7-6-13-27(23,24)5)8-9-21-15-22(30)16-25(31)19(21)2/h8-9,12,14,18,22-25,29-33H,2,6-7,10-11,13,15-17H2,1,3-5H3/b14-12+,20-8-,21-9-/t18-,22-,23-,24+,25+,27-,28+/m1/s1
• InChIKey: SANQIAQVFWELQI-SCSNUEKESA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 655.322°C at 760 mmHg (Cal.)
• Flash point: 278.08°C (Cal.)