chempirical

12-Epinapelline

C22H33NO3CAS 110064-71-6359.51 g/mol

Open in Covalent MOL file
NOHOHOH
AlcoholAlkeneTertiary amine

Properties

Molecular formula
C22H33NO3
Molar mass
359.51 g/mol
Exact mass
359.2460 Da
logP
1.79Crippen estimate
Polar surface area
63.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Identifiers

CAS number
110064-71-6
SMILES
CCN1CC2(CCC(C34C2CC(C31)C56C4CC(C(C5)C(=C)C6O)O)O)C
InChIKey
AZAZKLKDEOMJBJ-UHFFFAOYSA-N
InChI
InChI=1S/C22H33NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3

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Names and synonyms

1 names
  • 12-Epi-napelline

Work with 12-Epinapelline

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

Songorine509-24-070 % similar Denudatine26166-37-055 % similar Karakoline39089-30-044 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook