1,24-Dihydroxy-22-Dehydrovitamin D3
[CAS# 95270-41-0]

Identification

• Name: 1,24-Dihydroxy-22-Dehydrovitamin D3
• Synonyms: (1R,3S,5E)-5-[(2E)-2-[(1R,3As,7As)-1-[(E,1R,4R)-4-Hydroxy-1,5-Dimethyl-Hex-2-Enyl]-7A-Methyl-2,3,3A,4,6,7-Hexahydro-1H-Inden-5-Ylidene]Ethylidene]-4-Methylene-Cyclohexane-1,3-Diol; (1R,3S,5E)-5-[(2E)-2-[(1R,3As,7As)-1-[(E,1R,4R)-4-Hydroxy-1,5-Dimethylhex-2
• Molecular Formula: C₂₇H₄₂O₃
• Molecular Weight: 414.63
• CAS Registry Number: 95270-41-0
• SMILES: [C@]12([C@H](CC[C@H]1C\C(CC2)=C\C=C/3C([C@@H](O)C[C@H](O)C3)=C)[C@@H](\C=C\[C@H](O)C(C)C)C)C
• InChI: 1S/C27H42O3/c1-17(2)25(29)11-6-18(3)24-10-9-22-14-20(12-13-27(22,24)5)7-8-21-15-23(28)16-26(30)19(21)4/h6-8,11,17-18,22-26,28-30H,4,9-10,12-16H2,1-3,5H3/b11-6+,20-7+,21-8+/t18-,22+,23-,24-,25+,26+,27+/m1/s1
• InChIKey: REQQGRCFYKWEJJ-FOOKDHRWSA-N