Berberrubine structure

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

CAS: 17388-19-1
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. 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 InChI Key: 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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