Vitamin D3 3beta-D-Glucopyranoside
[CAS# 24003-73-4]

Identification

• Name: Vitamin D3 3beta-D-Glucopyranoside
• Synonyms: (2S,3S,4S,5R,6R)-6-[(3E)-3-[(2E)-2-[(1R,7Ar)-1-[(1R)-1,5-Dimethylhexyl]-7A-Methyl-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)-1-[(1R)-1,5-Dimethylhexyl]-7A-Methyl-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)-7A-Methyl-1-[(2R)-6-Methylheptan-2-Yl]-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: C₃₃H₅₂O₇
• Molecular Weight: 560.77
• CAS Registry Number: 24003-73-4
• 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](CCCC(C)C)C)C
• InChI: 1S/C33H52O7/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-33(25,26)5)12-13-23-18-24(14-11-20(23)3)39-32-29(36)27(34)28(35)30(40-32)31(37)38/h12-13,19,21,24-30,32,34-36H,3,6-11,14-18H2,1-2,4-5H3,(H,37,38)/b22-12+,23-13+/t21-,24?,25-,26?,27+,28+,29-,30+,32-,33-/m1/s1
• InChIKey: HSMHKPFJPOTDCW-SPNBKSFTSA-N

Properties

• Density: 1.173g/cm³ (Cal.)
• Boiling point: 701.547°C at 760 mmHg (Cal.)
• Flash point: 216.677°C (Cal.)