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Chemical structure of 16-Epipyromesaconitine

GC68490

16-Epipyromesaconitine

Also known as (1S,2R,3S,4R,5R,6S,8S,9R,10R,13R,14R,16S,17S,18R)-4,5,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-7-one

16-Epipyromesaconitine is a natural product obtained from the thermal decomposition of mesaconitine

ChemicalCAS132054-38-7MW467.55FormulaC24H37NO8
CAS number
132054-38-7
Molecular weight
467.55
Formula
C24H37NO8
InChIKey
ZKWNBZCZKGJWES-BZPQHDEXSA-N
Catalogue number
GC68490
Brand
GLPBIO
Computed properties PubChem CID 168355619 · XLogP -1.7 · TPSA 118 Ų · H-bond donors 3
XLogP
-1.7
TPSA
118 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
33

SMILES CN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H]([C@H]31)[C@@H]5[C@@H]6[C@H]4C[C@@]([C@@H]6O)([C@@H](C5=O)OC)O)OC)OC)O)COC

Computed descriptors from PubChem (CID 168355619), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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