chempirical

Tabersonine

C21H24N2O2CAS 4429-63-4336.44 g/mol

Open in Covalent MOL file
NOOHN
AlkeneEsterSecondary amineTertiary amine

Properties

Molecular formula
C21H24N2O2
Molar mass
336.44 g/mol
Exact mass
336.1838 Da
Melting point
196 °C
logP
3.22Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2
Stereocentres
R, R, Sin SMILES atom order

Identifiers

CAS number
4429-63-4
SMILES
CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32
InChIKey
FNGGIPWAZSFKCN-ACRUOGEOSA-N
InChI
InChI=1S/C21H24N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-9,19,22H,3,10-13H2,1-2H3/t19-,20-,21-/m0/s1

Weigh it out

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

Names and synonyms

6 names
  • Aspidospermidine-3-carboxylic acid, 2,3,6,7-tetradehydro-, methyl ester, (5α,12R,19α)-
  • Aspidospermidine-3-carboxylic acid, 2,3,6,7-tetradehydro-, methyl ester, (5α,12β,19α)-
  • 1H-Indolizino[8,1-cd]carbazole-5-carboxylic acid, 3a-ethyl-3a,4,6,11,12,13a-hexahydro-, methyl ester
  • 1H-Indolizino[8,1-cd]carbazole, aspidospermidine-3-carboxylic acid deriv.
  • (-)-Tabersonine
  • Tabersonin

Work with Tabersonine

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

7-Isorhyncophylline6859-01-433 % similar Corynoxine6877-32-333 % similar Rhynchophylline76-66-433 % similar Mitraphylline509-80-832 % similar Isocorynoxeine51014-29-031 % similar Corynoxeine630-94-431 % similar Vindoline2182-14-131 % similar

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

Same formula

Catharanthine2468-21-5

Elsewhere

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