Pannarin
8-chloro-9-hydroxy-3-methoxy-1,4,7-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde
Also Known As: Pannarin|Pannarine|NCI60_015821|8-chloro-9-hydroxy-3-methoxy-1,4,7-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde|2-Chloro-3-hydroxy-8-methoxy-1,6,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde|11h-dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde, 2-chloro-3-hydroxy-8-methoxy-1,6,9-trimethyl-11-oxo-|11H-Dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde,2-chloro-3-hydroxy-8-methoxy-1,6,9-trimethyl-11-oxo-|11H-Dibenzo(b,e)(1,4)dioxepin-4-carboxaldehyde, 2-chloro-3-hydroxy-8-methoxy-1,6,9-trimethyl-11-oxo-|13-chloro-14-hydroxy-6-methoxy-4,7,12-trimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-15-carbaldehyde|2-Chloro-3-hydroxy-8-methoxy-1,6,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-4-carbaldehyde|8-chloro-9-hydroxy-3-methoxy-1,4,7-trimethyl-6-oxo-benzo[b][1,4]benzodioxepine-10-carbaldehyde
| Molecular Formula | C18H15ClO6 |
|---|---|
| Molecular Weight | 362.05573 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 362.05573 |
| Monoisotopic Mass | 362.05573 |
| Heavy Atoms | 25 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 6340-34-7 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1OC3=C(C(=C(C(=C3C(=O)O2)C)Cl)O)C=O)C)OC |
| InChIKey | LVGKNESDSKGROR-UHFFFAOYSA-N |
Product Overview
Pannarin (CAS 6340-34-7), with molecular formula C18H15ClO6 and molecular weight 362.05573 g/mol. IUPAC: 8-chloro-9-hydroxy-3-methoxy-1,4,7-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde.