2-Hydroxy-7-O-Methylscillascillin

CAS	52096-50-1
Synonyms	Spiro[2H-1-benzopyran-3(4H),5(6H)-cyclobuta[f][1,3]benzodioxol]-4-one, 2,5-dihydroxy-7-methoxy-, (3R)-
IUPAC Name	2,5-dihydroxy-7-methoxyspiro[2H-chromene-3,4'-9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,6-triene]-4-one
Molecular Weight	342.3
Molecular Formula	C18H14O7
Canonical SMILES	COC1=CC(=C2C(=C1)OC(C3(C2=O)CC4=CC5=C(C=C34)OCO5)O)O
InChI	InChI=1S/C18H14O7/c1-22-9-3-11(19)15-14(4-9)25-17(21)18(16(15)20)6-8-2-12-13(5-10(8)18)24-7-23-12/h2-5,17,19,21H,6-7H2,1H3
InChI Key	HQNATRVFSYNBMS-UHFFFAOYSA-N
Boiling Point	648.1±55.0 °C
Purity	98%
Density	1.65±0.1 g/ml
pKa	6.81±0.40
Appearance	Solid