Scutellarin methylester

Catalog	BBC119262689
CAS	119262-68-9
Structure
Synonyms	5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid methyl ester
IUPAC Name	Methyl (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
Molecular Weight	476.39
Molecular Formula	C22H20O12
Canonical 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
InChI	InChI=1S/C22H20O12/c1-31-21(30)20-18(28)17(27)19(29)22(34-20)33-13-7-12-14(16(26)15(13)25)10(24)6-11(32-12)8-2-4-9(23)5-3-8/h2-7,17-20,22-23,25-29H,1H3/t17-,18-,19+,20-,22+/m0/s1
InChI Key	LNIVUWPCHRNJLG-SXFAUFNYSA-N
Boiling Point	804.0±65.0 °C
Purity	98%
Density	1.697±0.06 g/ml
Appearance	Powder
pKa	5.92±0.40