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Chemical structure of 16-Epivoacarpine

GC60012

16-Epivoacarpine

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

16-Epivoacarpine is a natural alkaloid isolated from Gelsemium elegans

ChemicalCAS114027-38-2MW368.43FormulaC21H24N2O4
CAS number
114027-38-2
Molecular weight
368.43
Formula
C21H24N2O4
InChIKey
ZROBSNVANUBAJZ-LWKNIGJSSA-N
Catalogue number
GC60012
Brand
GLPBIO
Computed properties PubChem CID 13946382 · XLogP 0.7 · TPSA 85.8 Ų · H-bond donors 3
XLogP
0.7
TPSA
85.8 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
27

SMILES C/C=C\1/CN2[C@H]3CC4=C([C@@]2(C[C@@H]1[C@@]3(CO)C(=O)OC)O)NC5=CC=CC=C45

Computed descriptors from PubChem (CID 13946382), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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