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Chemical structure of Chasmanine

GC35671

Chasmanine

Also known as 11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol

Chasmanine is an alkaloid isolated from the roots of Aconitum crassicaule

ChemicalCAS5066-78-4MW451.6FormulaC25H41NO6
CAS number
5066-78-4
Molecular weight
451.6
Formula
C25H41NO6
Solubility
Soluble in DMSO
InChIKey
DBODJJZRZFZBBD-UHFFFAOYSA-N
Catalogue number
GC35671
Brand
GLPBIO
Computed properties PubChem CID 165283 · XLogP 0.5 · TPSA 80.6 Ų · H-bond donors 2
XLogP
0.5
TPSA
80.6 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
32

SMILES CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6O)OC)O)OC)OC)COC

Computed descriptors from PubChem (CID 165283), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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