1,25-Dihydroxyvitamin D3 monoglucuronide
[CAS# 82694-73-3]

Identification

• Name: 1,25-Dihydroxyvitamin D3 monoglucuronide
• Synonyms: (1R,3S,5E)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(2R)-6-Hydroxy-6-Methyl-Heptan-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol; (2S,3S,4S,5R,6R)-3,4,5,6-Tetrahydroxyoxane-2-Carboxylic Acid; (1R,3S,5E)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (2S,3S,4S,5R,6R)-3,4,5,6-Tetrahydroxytetrahydropyran-2-Carboxylic Acid; (1R,3S,5E)-5-[(2E)-2-[(1R,3As,7Ar)-1-[(1R)-5-Hydroxy-1,5-Dimethylhexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (2S,3S,4S,5R,6R)-3,4,5,6-Tetrahydroxy-2-Tetrahydropyrancarboxylic Acid
• Molecular Formula: C₃₃H₅₄O₁₀
• Molecular Weight: 610.78
• CAS Registry Number: 82694-73-3
• 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](CCCC(O)(C)C)C)C.[C@@H]4(O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]4O)C(=O)O
• InChI: 1S/C27H44O3.C6H10O7/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2;7-1-2(8)4(5(10)11)13-6(12)3(1)9/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3;1-4,6-9,12H,(H,10,11)/b20-10+,21-11+;/t18-,22-,23-,24+,25+,27-;1-,2-,3+,4-,6+/m10/s1
• InChIKey: UVUDSKXLQUICEG-FBBZRJITSA-N

Properties

• Boiling point: 565°C at 760 mmHg (Cal.)
• Flash point: 238.4°C (Cal.)