Pergularinine
3,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol
Also Known As: Pergularinine|(+-)-Pergularinine|J1.999.647F|Dibenzo(f,h)pyrrolo(1,2-b)isoquinolin-14-ol, 9,11,12,13,13a,14-hexahydro-3,6,7-trimethoxy-, cis-(+-)-|3,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol|3,6,7-Trimethoxy-14-hydroxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline|5,10,11-trimethoxy-16-azapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(14),2,4,6,8,10,12-heptaen-21-ol
| Molecular Formula | C23H25NO4 |
|---|---|
| Molecular Weight | 379.17834 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.17834 |
| Monoisotopic Mass | 379.17834 |
| Heavy Atoms | 28 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 6799-27-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=C(CN4CCCC4C3O)C5=CC(=C(C=C52)OC)OC |
| InChIKey | LAWAARLALKUFQQ-UHFFFAOYSA-N |
Product Overview
Pergularinine (CAS 6799-27-5), with molecular formula C23H25NO4 and molecular weight 379.17834 g/mol. IUPAC: 3,6,7-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol.
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