Vitamin D2 Glucosiduronate
[CAS# 57803-96-0]

Identification

• Name: Vitamin D2 Glucosiduronate
• Synonyms: (2S,3S,4S,5R,6R)-6-[(3E)-3-[(2E)-2-[(1R,7Ar)-7A-Methyl-1-[(E,1R,4R)-1,4,5-Trimethylhex-2-Enyl]-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-6-[(3E)-3-[(2E)-2-[(1R,7Ar)-7A-Methyl-1-[(E,1R,4R)-1,4,5-Trimethylhex-2-Enyl]-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-6-[(3E)-3-[(2E)-2-[(1R,7Ar)-1-[(E,2R,5R)-5,6-Dimethylhept-3-En-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexyl]Oxy-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₃₄H₅₂O₇
• Molecular Weight: 572.78
• CAS Registry Number: 57803-96-0
• SMILES: [C@]12([C@H](CCC1C(/CCC2)=C/C=C4\CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)CCC4=C)[C@@H](\C=C\[C@@H](C(C)C)C)C)C
• InChI: 1S/C34H52O7/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-34(26,27)6)12-13-24-18-25(14-11-21(24)4)40-33-30(37)28(35)29(36)31(41-33)32(38)39/h9-10,12-13,19-20,22,25-31,33,35-37H,4,7-8,11,14-18H2,1-3,5-6H3,(H,38,39)/b10-9+,23-12+,24-13+/t20-,22+,25?,26+,27?,28-,29-,30+,31-,33+,34+/m0/s1
• InChIKey: NLCXHIGBBJLZMX-HLQYQDSBSA-N

Properties

• Density: 1.173g/cm³ (Cal.)
• Boiling point: 706.732°C at 760 mmHg (Cal.)
• Flash point: 216.935°C (Cal.)