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Chemical structure of (Z)-Akuammidine

GC60010

(Z)-Akuammidine

Also known as methyl (1S,12S,13S,14S,15Z)-15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate

(Z)-Akuammidine ((Z)-Rhazine) is isolated from Gelsemium elegans

ChemicalCAS113973-31-2MW352.43FormulaC21H24N2O3
CAS number
113973-31-2
Molecular weight
352.43
Formula
C21H24N2O3
InChIKey
RCEFXZXHYFOPIE-DNTDCJNWSA-N
Catalogue number
GC60010
Brand
GLPBIO
Computed properties PubChem CID 13946380 · XLogP 1.5 · TPSA 65.6 Ų · H-bond donors 2
XLogP
1.5
TPSA
65.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26

SMILES C/C=C/1\CN2[C@H]3C[C@@H]1[C@]([C@@H]2CC4=C3NC5=CC=CC=C45)(CO)C(=O)OC

Computed descriptors from PubChem (CID 13946380), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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