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Chemical structure of Seneganolide

GC71977

Seneganolide

Also known as (1S,2R,6R,7R,10R,11S,16S,19S)-6-(furan-3-yl)-20-hydroxy-7,17,17-trimethyl-5,13,21-trioxahexacyclo[17.2.1.01,10.02,7.011,16.011,20]docosane-4,14,18-trione

Seneganolide (compound 1) is isolated from the stem bark of Khaya senegalensis

ChemicalCAS301530-12-1MW470.51FormulaC26H30O8
CAS number
301530-12-1
Molecular weight
470.51
Formula
C26H30O8
InChIKey
VIOKSDWKSSMHBF-MNGWOIGJSA-N
Catalogue number
GC71977
Brand
GLPBIO
Computed properties PubChem CID 156595353 · XLogP 1.4 · TPSA 112 Ų · H-bond donors 1
XLogP
1.4
TPSA
112 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
1
Heavy atoms
34

SMILES C[C@@]12CC[C@H]3[C@@]4([C@@H]1CC(=O)O[C@H]2C5=COC=C5)C[C@H]6C(=O)C([C@H]7[C@@]3(C6(O4)O)COC(=O)C7)(C)C

Computed descriptors from PubChem (CID 156595353), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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