Pretazettine
(1S,11R,13R,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-ol
| Molecular Formula | C18H21NO5 |
|---|---|
| Molecular Weight | 331.4 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 60.4 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.14197 |
| Heavy Atoms | 24 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 17322-84-8 |
|---|---|
| SMILES | CN1CC2C3(C1CC(C=C3)OC)C4=CC5=C(C=C4C(O2)O)OCO5 |
| InChIKey | KLJOYDMUWKSYBP-YNBLHMCPSA-N |
📖 Product Overview
Pretazettine (CAS: 17322-84-8) is a chemical compound with molecular formula C18H21NO5 and molecular weight 331.4 g/mol. Its IUPAC systematic name is (1S,11R,13R,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-ol.
KLJOYDMUWKSYBP-YNBLHMCPSA-N.
SMILES: CN1CC2C3(C1CC(C=C3)OC)C4=CC5=C(C=C4C(O2)O)OCO5.
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