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Chemical structure of Limonin

GC16589

Limonin

Also known as (1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione

Limonin is a natural tetracyclic triterpenoid compound, which widely exists in Euodia rutaecarpa (Juss·) Benth

ChemicalCAS1180-71-8MW470.51FormulaC26H30O8
CAS number
1180-71-8
Molecular weight
470.51
Formula
C26H30O8
Solubility
≥ 23·9 mg/mL in DMSO
InChIKey
KBDSLGBFQAGHBE-MSGMIQHVSA-N
Catalogue number
GC16589
Brand
GLPBIO
Computed properties PubChem CID 179651 · XLogP 1.8 · TPSA 105 Ų · H-bond donors 0
XLogP
1.8
TPSA
105 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
1
Heavy atoms
34

SMILES C[C@@]12CC[C@H]3[C@]([C@@]14[C@H](O4)C(=O)O[C@H]2C5=COC=C5)(C(=O)C[C@@H]6[C@@]37COC(=O)C[C@@H]7OC6(C)C)C

Computed descriptors from PubChem (CID 179651), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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