3,5-Dihydroxy-2-(1-oxooctyl)benzeneacetic acid ethyl ester

Catalog	BBC321661625
CAS	321661-62-5
Structure
Synonyms	Cytosporone B
IUPAC Name	Ethyl 2-(3,5-dihydroxy-2-octanoylphenyl)acetate
Molecular Weight	322.4
Molecular Formula	C18H26O5
Canonical SMILES	CCCCCCCC(=O)C1=C(C=C(C=C1O)O)CC(=O)OCC
InChI	InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3
InChI Key	UVVWQQKSNZLUQA-UHFFFAOYSA-N
Boiling Point	471.6±24.0 °C
Purity	98%
Density	1.126±0.06 g/ml
Appearance	White to off-white solid
pKa	7.54±0.40