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Chemical structure of Baicalin methyl ester

GC35463

Baicalin methyl ester

Also known as methyl (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylate

Baicalin methyl ester is a constituent of the roots of S

ChemicalCAS82475-03-4MW460.39FormulaC22H20O11
CAS number
82475-03-4
Molecular weight
460.39
Formula
C22H20O11
Solubility
DMSO ： 250 mg/mL (543·02 mM; Need ultrasonic)
InChIKey
AOWRAYJMTOYETH-SXFAUFNYSA-N
Catalogue number
GC35463
Brand
GLPBIO
Computed properties PubChem CID 15223582 · XLogP 1.4 · TPSA 172 Ų · H-bond donors 5
XLogP
1.4
TPSA
172 Ų
H-bond donors
5
H-bond acceptors
11
Rotatable bonds
5
Heavy atoms
33

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=CC=C4)O)O)O)O)O

Computed descriptors from PubChem (CID 15223582), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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