chempirical

Columbamine

C20H20NO4+CAS 3621-36-1338.38 g/mol

Open in Covalent MOL file
OHOOON+
EtherPhenol

Properties

Molecular formula
C20H20NO4+
Molar mass
338.38 g/mol
Exact mass
338.1392 Da
Melting point
280–282 °C
logP
3.08Crippen estimate
Polar surface area
51.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3621-36-1
SMILES
COc1cc2c(cc1O)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2
InChIKey
YYFOFDHQVIODOQ-UHFFFAOYSA-O
InChI
InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Dibenzo[a,g]quinolizinium, 5,6-dihydro-2-hydroxy-3,9,10-trimethoxy-
  • Berbinium, 7,8,13,13a-tetradehydro-2-hydroxy-3,9,10-trimethoxy-
  • 5,6-Dihydro-2-hydroxy-3,9,10-trimethoxydibenzo[a,g]quinolizinium
  • Columbamin
  • Dehydroisocorypalmine

Work with Columbamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Demethyleneberberine25459-91-090 % similar Palmatine3486-67-781 % similar Palmatine chloride10605-02-476 % similar Berberine2086-83-175 % similar Berberine hydrochloride633-65-871 % similar Epiberberine6873-09-265 % similar Berberine bisulfate633-66-965 % similar Neutral berberine sulfate316-41-664 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Jatrorrhizine3621-38-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia