10-Ketovitamin D3
[CAS# 95480-84-5]

Identification

• Name: 10-Ketovitamin D3
• Synonyms: (2Z,4S)-2-[(2E)-2-[(3R,3As,7As)-3-[(1R)-1,5-Dimethylhexyl]-3A-Methyl-2,3,4,6,7,7A-Hexahydro-1H-Inden-5-Ylidene]Ethylidene]-4-Hydroxy-Cyclohexan-1-One; (2Z,4S)-2-[(2E)-2-[(3R,3As,7As)-3-[(1R)-1,5-Dimethylhexyl]-3A-Methyl-2,3,4,6,7,7A-Hexahydro-1H-Inden-5-Yl
• Molecular Formula: C₂₆H₄₂O₂
• Molecular Weight: 386.62
• CAS Registry Number: 95480-84-5
• SMILES: [C@]12([C@H](CC[C@H]1CCC(/C2)=C\C=C\3C(=O)CC[C@H](O)C3)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C26H42O2/c1-18(2)6-5-7-19(3)24-14-12-22-11-9-20(17-26(22,24)4)8-10-21-16-23(27)13-15-25(21)28/h8,10,18-19,22-24,27H,5-7,9,11-17H2,1-4H3/b20-8+,21-10-/t19-,22-,23+,24-,26+/m1/s1
• InChIKey: YXLJDOQKSXHDDA-HFFWFVFZSA-N