1,23,25,26-Tetrahydroxyvitamin D3
[CAS# 100634-18-2]

Identification

• Name: 1,23,25,26-Tetrahydroxyvitamin D3
• Synonyms: (2R,4S,6R)-6-[(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]-2-Methyl-Heptane-1,2,4-Triol; (2R,4S,6R)-6-[(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]-2-Methylheptane-1,2,4-Triol; (2R,4S,6R)-6-[(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]-2-Methyl-Heptane-1,2,4-Triol
• Molecular Formula: C₂₇H₄₄O₅
• Molecular Weight: 448.64
• CAS Registry Number: 100634-18-2
• 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@H](O)C[C@@](O)(CO)C)C)C
• InChI: 1S/C27H44O5/c1-17(12-22(30)15-26(3,32)16-28)23-9-10-24-19(6-5-11-27(23,24)4)7-8-20-13-21(29)14-25(31)18(20)2/h7-8,17,21-25,28-32H,2,5-6,9-16H2,1,3-4H3/b19-7-,20-8-/t17-,21-,22+,23-,24+,25+,26-,27-/m1/s1
• InChIKey: QDZSTMXTBPCCGE-NMXSSONZSA-N