Saffan
(3R,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;[2-[(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
| Molecular Formula | C44H66O8 |
|---|---|
| Molecular Weight | 723.0 g/mol |
| Topological Polar Surface Area | 135.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 722.47577 |
| Heavy Atoms | 52 |
| Complexity | 1260.0 |
Chemical Identifiers
| CAS Number | 8067-82-1 |
|---|---|
| SMILES | CC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C.CC(=O)OCC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C |
| InChIKey | YYPNLXNMXQFMHG-GSEHKNNPSA-N |
📖 Product Overview
Saffan (CAS: 8067-82-1) is a chemical compound with molecular formula C44H66O8 and molecular weight 723.0 g/mol. Its IUPAC systematic name is (3R,5S,8S,9S,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one;[2-[(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
YYPNLXNMXQFMHG-GSEHKNNPSA-N.
SMILES: CC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C.CC(=O)OCC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C.
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