Cetocycline
(1R,4aR,12aS)-3-acetyl-1-amino-4,4a,6,7-tetrahydroxy-8,11-dimethyl-12,12a-dihydro-1H-tetracene-2,5-dione
| Molecular Formula | C22H21NO7 |
|---|---|
| Molecular Weight | 411.4 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 158.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 411.1318 |
| Heavy Atoms | 30 |
| Complexity | 837.0 |
Chemical Identifiers
| CAS Number | 29144-42-1 |
|---|---|
| SMILES | CC1=C(C2=C(C3=C(CC4C(C(=O)C(=C(C4(C3=O)O)O)C(=O)C)N)C(=C2C=C1)C)O)O |
| InChIKey | LUYXWZOOMKBUMB-ONJZCGHCSA-N |
📖 Product Overview
Cetocycline (CAS: 29144-42-1) is a chemical compound with molecular formula C22H21NO7 and molecular weight 411.4 g/mol. Its IUPAC systematic name is (1R,4aR,12aS)-3-acetyl-1-amino-4,4a,6,7-tetrahydroxy-8,11-dimethyl-12,12a-dihydro-1H-tetracene-2,5-dione.
LUYXWZOOMKBUMB-ONJZCGHCSA-N.
SMILES: CC1=C(C2=C(C3=C(CC4C(C(=O)C(=C(C4(C3=O)O)O)C(=O)C)N)C(=C2C=C1)C)O)O.
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