Ecabet
(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
| Molecular Formula | C20H28O5S |
|---|---|
| Molecular Weight | 380.5 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 100.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.16574 |
| Heavy Atoms | 26 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 33159-27-2 |
|---|---|
| SMILES | CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)S(=O)(=O)O |
| InChIKey | IWCWQNVIUXZOMJ-MISYRCLQSA-N |
📖 Product Overview
Ecabet (CAS: 33159-27-2) is a chemical compound with molecular formula C20H28O5S and molecular weight 380.5 g/mol. Its IUPAC systematic name is (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-6-sulfo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid.
IWCWQNVIUXZOMJ-MISYRCLQSA-N.
SMILES: CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)S(=O)(=O)O.
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