Ocoteine
(12S)-7,16,17-trimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene
| Molecular Formula | C21H23NO5 |
|---|---|
| Molecular Weight | 369.4 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 49.4 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.15762 |
| Heavy Atoms | 27 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 73791-37-4 |
|---|---|
| SMILES | CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C5C(=C2OC)OCO5)OC)OC |
| InChIKey | XEZKWYLHAOYOCL-AWEZNQCLSA-N |
📖 Product Overview
Ocoteine (CAS: 73791-37-4) is a chemical compound with molecular formula C21H23NO5 and molecular weight 369.4 g/mol. Its IUPAC systematic name is (12S)-7,16,17-trimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaene.
XEZKWYLHAOYOCL-AWEZNQCLSA-N.
SMILES: CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C5C(=C2OC)OCO5)OC)OC.
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