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Chemical structure of (S)-Canadine

GC48719

(S)-Canadine

Also known as (1S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene

(S)-Canadine is an alkaloid and intermediate in the biosynthesis of berberine with insecticidal activity

ChemicalCAS5096-57-1MW339.4FormulaC20H21NO4
CAS number
5096-57-1
Molecular weight
339.4
Formula
C20H21NO4
Solubility
Chloroform： slightly soluble,Methanol： very slightly, heated
InChIKey
VZTUIEROBZXUFA-INIZCTEOSA-N
Catalogue number
GC48719
Brand
GLPBIO
Computed properties PubChem CID 21171 · XLogP 3.1 · TPSA 40.2 Ų · H-bond donors 0
XLogP
3.1
TPSA
40.2 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
25

SMILES COC1=C(C2=C(C[C@H]3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OC

Computed descriptors from PubChem (CID 21171), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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