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Chemical structure of 12-Epinapelline

GC35054

12-Epinapelline

Also known as 11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol

12-Epinapelline is a diterpene alkaloid isolated from Aconitum baikalense

ChemicalCAS110064-71-6MW359.5FormulaC22H33NO3
CAS number
110064-71-6
Molecular weight
359.5
Formula
C22H33NO3
Solubility
DMSO : 100 mg/mL (278·16 mM; Need ultrasonic)
InChIKey
AZAZKLKDEOMJBJ-UHFFFAOYSA-N
Catalogue number
GC35054
Brand
GLPBIO
Computed properties PubChem CID 3133561 · XLogP 1.2 · TPSA 63.9 Ų · H-bond donors 3
XLogP
1.2
TPSA
63.9 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
26

SMILES CCN1CC2(CCC(C34C2CC(C31)C56C4CC(C(C5)C(=C)C6O)O)O)C

Computed descriptors from PubChem (CID 3133561), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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