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Chemical structure of Scutellarin methylester

GC37609

Scutellarin methylester

Also listed as Scutellarin methyl ester

Scutellarin methyl ester is a constituent of Breviscapine which is a crude extract of several flavonoids of Erigeron breviscapus

ChemicalCAS119262-68-9MW476.39FormulaC22H20O12
CAS number
119262-68-9
Molecular weight
476.39
Formula
C22H20O12
Solubility
DMSO ： 25 mg/mL (52·48 mM; ultrasonic and warming and heat to 60°C)
InChIKey
LNIVUWPCHRNJLG-SXFAUFNYSA-N
Catalogue number
GC37609
Brand
GLPBIO
Computed properties PubChem CID 14162695 · XLogP 1.1 · TPSA 192 Ų · H-bond donors 6
XLogP
1.1
TPSA
192 Ų
H-bond donors
6
H-bond acceptors
12
Rotatable bonds
5
Heavy atoms
34

SMILES COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O)O

Computed descriptors from PubChem (CID 14162695), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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