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Chemical structure of Alstonine

GC39796

Alstonine

Also known as methyl (15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate

Alstonine is a major indole alkaloid compound of a plant-based remedy

ChemicalCAS642-18-2MW348.4FormulaC21H20N2O3
CAS number
642-18-2
Molecular weight
348.4
Formula
C21H20N2O3
Solubility
Soluble in DMSO
InChIKey
WYTGDNHDOZPMIW-RCBQFDQVSA-N
Catalogue number
GC39796
Brand
GLPBIO
Computed properties PubChem CID 441979 · XLogP 2.6 · TPSA 53.4 Ų · H-bond donors 0
XLogP
2.6
TPSA
53.4 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
26

SMILES C[C@H]1[C@@H]2CN3C=CC4=C5C=CC=CC5=NC4=C3C[C@@H]2C(=CO1)C(=O)OC

Computed descriptors from PubChem (CID 441979), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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