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Chemical structure of Tabersonine

GC40703

Tabersonine

Also known as methyl (1R,12R,19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate

Tabersonine is an indole alkaloid that has been found in the beans of Voacanga

ChemicalCAS4429-63-4MW336.4FormulaC21H24N2O2
CAS number
4429-63-4
Molecular weight
336.4
Formula
C21H24N2O2
Solubility
DMF： 2 mg/ml,DMSO： 2 mg/ml,Ethanol： slightly soluble
InChIKey
FNGGIPWAZSFKCN-ACRUOGEOSA-N
Catalogue number
GC40703
Brand
GLPBIO
Computed properties PubChem CID 20485 · XLogP 3.4 · TPSA 41.6 Ų · H-bond donors 1
XLogP
3.4
TPSA
41.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25

SMILES CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC=C2)C5=CC=CC=C5N3)C(=O)OC

Computed descriptors from PubChem (CID 20485), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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