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Chemical structure of Deoxylimonin

GC60755

Deoxylimonin

Also known as 18-(furan-3-yl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]henicos-14-ene-5,12,16-trione

Desoxylimonin is an orally active triterpenoid compound found from grapefruit seed

ChemicalCAS989-23-1MW454.51FormulaC26H30O7
CAS number
989-23-1
Molecular weight
454.51
Formula
C26H30O7
Solubility
DMSO ： 100 mg/mL (220·02 mM; Need ultrasonic)
InChIKey
QUTATOGBENCRSS-UHFFFAOYSA-N
Catalogue number
GC60755
Brand
GLPBIO
Computed properties PubChem CID 100026 · XLogP 2.2 · TPSA 92 Ų · H-bond donors 0
XLogP
2.2
TPSA
92 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
1
Heavy atoms
33

SMILES CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C3=CC(=O)OC5C6=COC=C6)C)C)C

Computed descriptors from PubChem (CID 100026), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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