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Chemical structure of 6-Benzoylheteratisine

GC65593

6-Benzoylheteratisine

Also known as [(6S,9S,14R,17S,18R,19S)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-4-oxo-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-19-yl] benzoate

6-Benzoylheteratisine is a naturally occurring antagonist of the Na+ channel activator aconitine

ChemicalCAS99759-48-5MW495.61FormulaC29H37NO6
CAS number
99759-48-5
Molecular weight
495.61
Formula
C29H37NO6
InChIKey
XVVZJDDPRFFKTQ-UPWHZOCASA-N
Catalogue number
GC65593
Brand
GLPBIO
Computed properties PubChem CID 5487064 · XLogP 3.3 · TPSA 85.3 Ų · H-bond donors 1
XLogP
3.3
TPSA
85.3 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
36

SMILES CCN1C[C@@]2(CC[C@@H](C34[C@@H]2[C@@H](C(C31)[C@]5(CC[C@H]6CC4C5C(=O)O6)O)OC(=O)C7=CC=CC=C7)OC)C

Computed descriptors from PubChem (CID 5487064), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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