Homoorientin

CAS	4261-42-1
Structure
Synonyms	2-(3,4-Dihydroxyphenyl)-6-β-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one
IUPAC Name	2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Molecular Weight	448.38
Molecular Formula	C21H20O11
Canonical SMILES	C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
InChI	InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1
InChI Key	ODBRNZZJSYPIDI-VJXVFPJBSA-N
Boiling Point	856.7±65.0 °C
Melting Point	245-246 °C
Purity	98%
Density	1.759±0.06 g/ml
pKa	5.90±0.40
Appearance	Powder