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Chemical structure of Acoforestinine

GC35240

Acoforestinine

Also known as [8-ethoxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

Acoforestinine is a diterpenoid alkaloid isolated from Aconitum handelianum

ChemicalCAS110011-77-3MW645.78FormulaC35H51NO10
CAS number
110011-77-3
Molecular weight
645.78
Formula
C35H51NO10
Solubility
Soluble in DMSO
InChIKey
YBCOIJNAMJAFSO-UHFFFAOYSA-N
Catalogue number
GC35240
Brand
GLPBIO
Computed properties PubChem CID 13817029 · XLogP 1.6 · TPSA 125 Ų · H-bond donors 2
XLogP
1.6
TPSA
125 Ų
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
12
Heavy atoms
46

SMILES CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=C(C=C7)OC)O)OC)OCC)OC)OC)O)COC

Computed descriptors from PubChem (CID 13817029), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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