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Chemical structure of Gelsevirine

GC64257

Gelsevirine

Also known as (1R,5S,6S,7S,8S)-2-ethenyl-1'-methoxy-4-methylspiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2'-one

Gelsevirine is the major alkaloid in Gelsemium elegans with potent anxiolytic effects

ChemicalCAS38990-03-3MW352.43FormulaC21H24N2O3
CAS number
38990-03-3
Molecular weight
352.43
Formula
C21H24N2O3
InChIKey
SSSCMFCWHWCCEH-LGUFPRDESA-N
Catalogue number
GC64257
Brand
GLPBIO
Computed properties PubChem CID 5491636 · XLogP 2 · TPSA 42 Ų · H-bond donors 0
XLogP
2
TPSA
42 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
26

SMILES CN1CC2([C@@H]3C[C@H]4[C@]5([C@H]2[C@H]1C3CO4)C6=CC=CC=C6N(C5=O)OC)C=C

Computed descriptors from PubChem (CID 5491636), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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