1,23,25-Trihydroxy-24-oxo-vitamin D3
(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,5S)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,4-dihydroxy-2-methylheptan-3-one
Also Known As: 1,23,25-Tov|1,23,25-Trihydroxy-24-oxocholecalciferol|1,23,25-Trihydroxy-24-oxo-vitamin D3|(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,5S)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,4-dihydroxy-2-methylheptan-3-one|9,10-Secocholesta-5,7,10(19)-trien-24-one, 1,3,23,25-tetrahydroxy-, (1alpha,3beta,5Z,7E)-
| Molecular Formula | C27H42O5 |
|---|---|
| Molecular Weight | 446.30322 g/mol |
| LogP | 3.8545 |
| Topological Polar Surface Area | 97.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.30322 |
| Monoisotopic Mass | 446.30322 |
| Heavy Atoms | 32 |
| Complexity | 788.35864 |
Chemical Identifiers
| CAS Number | 87147-48-6 |
|---|---|
| SMILES | C[C@H](CC(C(=O)C(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)O)O)C |
Product Overview
1,23,25-Trihydroxy-24-oxo-vitamin D3 (CAS 87147-48-6), with molecular formula C27H42O5 and molecular weight 446.30322 g/mol. IUPAC: (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3R,5S)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,4-dihydroxy-2-methylheptan-3-one.
1,23,25-Trihydroxy-24-oxo-vitamin D3 is a custom synthesis product. We offer services from milligram to kilogram scale.
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