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Chemical structure of Guanfu base H

GC76363

Guanfu base H

Also known as (1S,2S,6R,7S,10R,11R)-13-(2-hydroxyethyl)-11-methyl-5-methylidene-13-azoniapentacyclo[9.3.3.24,7.01,10.02,7]nonadec-13-en-6-ol chloride

Guanfu base H (Atisinium chloride) is a diterpenoid alkaloid isolated from Aconitum coreanum and has antiplasmodial activity against the malarial Plasmodium falciparum strains TM4/8·2 (wild type) and K1CB1 with IC50 values of 4 μM and 3·6 μM, respectively

ChemicalCAS4758-99-0MW379.96FormulaC22H34ClNO2
CAS number
4758-99-0
Molecular weight
379.96
Formula
C22H34ClNO2
Solubility
DMSO： 8·33 mg/mL (21·92 mM; ultrasonic and warming and heat to 60°C)
InChIKey
CTQGDDPQMCXQJW-WIXUTIBFSA-M
Catalogue number
GC76363
Brand
GLPBIO
Computed properties PubChem CID 73388 · TPSA 43.5 Ų · H-bond donors 2 · H-bond acceptors 3
TPSA
43.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
26

SMILES C[C@@]12CCC[C@@]3([C@@H]1CC[C@]45[C@H]3CC(CC4)C(=C)[C@H]5O)C=[N+](C2)CCO.[Cl-]

Computed descriptors from PubChem (CID 73388), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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