1-Hydroxyvitamin D3 3-D-Glucopyranoside
[CAS# 91037-29-5]

Identification

• Name: 1-Hydroxyvitamin D3 3-D-Glucopyranoside
• Synonyms: (2S,3S,4S,5R,6S)-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]-5-Hydroxy-4-Methylene-Cyclohexoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[(3E)-3-[(2E)-
• Molecular Formula: C₃₃H₅₂O₈
• Molecular Weight: 576.77
• CAS Registry Number: 91037-29-5
• SMILES: [C@]12([C@H](CCC1C(/CCC2)=C/C=C\4C(C(O)CC(O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)C4)=C)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C33H52O8/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-33(24,25)5)11-12-22-16-23(17-26(34)20(22)4)40-32-29(37)27(35)28(36)30(41-32)31(38)39/h11-12,18-19,23-30,32,34-37H,4,6-10,13-17H2,1-3,5H3,(H,38,39)/b21-11+,22-12+/t19-,23?,24-,25?,26?,27+,28+,29-,30+,32
• InChIKey: HVQXEPIFQWOABC-SEKMXBNUSA-N

Properties

• Density: 1.212g/cm³ (Cal.)
• Boiling point: 735.055°C at 760 mmHg (Cal.)
• Flash point: 228.035°C (Cal.)