(22E,25R)-22-Dehydro-1alpha,25-dihydroxy-26-methylvitamin D3
[CAS# 123000-44-2]

Identification

• Name: (22E,25R)-22-Dehydro-1alpha,25-dihydroxy-26-methylvitamin D3
• Synonyms: (1S,3R,5Z)-5-[(2E)-2-[(3As,7Ar)-1-[(E,1R,5S)-5-Hydroxy-1,5-Dimethyl-Hept-2-Enyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1S,3R,5Z)-5-[(2E)-2-[(3As,7Ar)-1-[(E,1R,5S)-5-Hydroxy-1,5-Dimethylhept-2-Enyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylenecyclohexane-1,3-Diol; (1S,3R,5Z)-5-[(2E)-2-[(3As,7Ar)-1-[(E,2R,6S)-6-Hydroxy-6-Methyl-Oct-3-En-2-Yl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-4-Methylidene-Cyclohexane-1,3-Diol
• Molecular Formula: C₂₈H₄₄O₃
• Molecular Weight: 428.65
• CAS Registry Number: 123000-44-2
• SMILES: [C@]13([C@H](\C(CCC1)=C\C=C\2C([C@H](O)C[C@@H](O)C2)=C)CCC3[C@@H](\C=C\C[C@@](O)(CC)C)C)C
• InChI: 1S/C28H44O3/c1-6-27(4,31)15-7-9-19(2)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)3/h7,9,11-12,19,23-26,29-31H,3,6,8,10,13-18H2,1-2,4-5H3/b9-7+,21-11+,22-12-/t19-,23+,24?,25+,26-,27+,28-/m1/s1
• InChIKey: RQYBOLUOBVMUJB-XQIUTWOCSA-N