10-O-Methylprotosappanin B

CAS	111830-77-4
Synonyms	7,8-Dihydro-6-(hydroxymethyl)-10-methoxy-6H-dibenz[b,d]oxocin-3,7,11-triol stereoisomer
IUPAC Name	10-(hydroxymethyl)-14-methoxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,15-triol
Molecular Weight	318.32
Molecular Formula	C17H18O6
Canonical SMILES	COC1=C(C=C2C(=C1)CC(COC3=C2C=CC(=C3)O)(CO)O)O
InChI	InChI=1S/C17H18O6/c1-22-16-4-10-7-17(21,8-18)9-23-15-5-11(19)2-3-12(15)13(10)6-14(16)20/h2-6,18-21H,7-9H2,1H3
InChI Key	MPBIWBGTEYMVRN-UHFFFAOYSA-N
Boiling Point	616.7±55.0 °C
Purity	98%
Density	1.399±0.06 g/ml
pKa	9.09±0.40
Appearance	Solid