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Chemical structure of Umbelliferone 7-O-Rutinoside

GC70090

Umbelliferone 7-O-Rutinoside

Also known as 7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one

Umbelliferone 7-O-Rutinoside (Compound 9) is a natural product that can be isolated from the stem of Clausena emarginata

ChemicalCAS135064-04-9MW470.42FormulaC21H26O12
CAS number
135064-04-9
Molecular weight
470.42
Formula
C21H26O12
InChIKey
YHDXKMHPOOQARK-NHYAYHNCSA-N
Catalogue number
GC70090
Brand
GLPBIO
Computed properties PubChem CID 45359651 · XLogP -1.9 · TPSA 185 Ų · H-bond donors 6
XLogP
-1.9
TPSA
185 Ų
H-bond donors
6
H-bond acceptors
12
Rotatable bonds
5
Heavy atoms
33

SMILES C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O)O)O)O)O)O

Computed descriptors from PubChem (CID 45359651), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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