Berberrubine
17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-ol
| Molecular Formula | C19H16NO4+ |
|---|---|
| Molecular Weight | 322.3 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 51.8 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.10794 |
| Heavy Atoms | 24 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 17388-19-1 |
|---|---|
| SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)O |
| InChIKey | GLYPKDKODVRYGP-UHFFFAOYSA-O |
📖 Product Overview
Berberrubine (CAS: 17388-19-1) is a chemical compound with molecular formula C19H16NO4+ and molecular weight 322.3 g/mol. Its IUPAC systematic name is 17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-ol.
GLYPKDKODVRYGP-UHFFFAOYSA-O.
SMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)O.
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