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Chemical structure of Mitragynine

GC44208

Mitragynine

Also known as methyl (E)-2-[(2S,3S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate

Mitragynine is an indole alkaloid from the plant M

ChemicalCAS4098-40-2MW398.5FormulaC23H30N2O4
CAS number
4098-40-2
Molecular weight
398.5
Formula
C23H30N2O4
Solubility
Ethanol： 5 mg/ml,Methanol： 10 mg/ml
InChIKey
LELBFTMXCIIKKX-QVRQZEMUSA-N
Catalogue number
GC44208
Brand
GLPBIO
Computed properties PubChem CID 3034396 · XLogP 3.4 · TPSA 63.8 Ų · H-bond donors 1
XLogP
3.4
TPSA
63.8 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29

SMILES CC[C@@H]1CN2CCC3=C([C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)NC4=C3C(=CC=C4)OC

Computed descriptors from PubChem (CID 3034396), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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