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Chemical structure of Rutarensin

GC69844

Rutarensin

Also known as 3-hydroxy-3-methyl-5-oxo-5-[[3,4,5-trihydroxy-6-[6-methoxy-2-oxo-3-(2-oxochromen-7-yl)oxychromen-7-yl]oxyoxan-2-yl]methoxy]pentanoic acid

Rutarensin is a phenolic compound found in cell cultures of Ruta chalepensis

ChemicalCAS119179-04-3MW658.56FormulaC31H30O16
CAS number
119179-04-3
Molecular weight
658.56
Formula
C31H30O16
InChIKey
ZTLZGWDERZVHNS-UHFFFAOYSA-N
Catalogue number
GC69844
Brand
GLPBIO
Computed properties PubChem CID 11958880 · XLogP 0.5 · TPSA 234 Ų · H-bond donors 5
XLogP
0.5
TPSA
234 Ų
H-bond donors
5
H-bond acceptors
16
Rotatable bonds
12
Heavy atoms
47

SMILES CC(CC(=O)O)(CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C3C=C(C(=O)OC3=C2)OC4=CC5=C(C=C4)C=CC(=O)O5)OC)O)O)O)O

Computed descriptors from PubChem (CID 11958880), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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