AC1L3X5G
6-[4-[2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2-diol
Also Known As: 25,26-Dihydroxyvitamin D3|25,26-dihydroxycholecalciferol|(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2-diol|6-[4-[2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2-diol
| Molecular Formula | C27H44O3 |
|---|---|
| Molecular Weight | 416.32904 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.32904 |
| Monoisotopic Mass | 416.32904 |
| Heavy Atoms | 30 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 29261-12-9 |
|---|---|
| SMILES | CC(CCCC(C)(CO)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C |
| InChIKey | QOWCBCXATJITSI-UHFFFAOYSA-N |
Product Overview
AC1L3X5G (CAS 29261-12-9), with molecular formula C27H44O3 and molecular weight 416.32904 g/mol. IUPAC: 6-[4-[2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2-diol.
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