Isotaxiresinol

CAS	26194-57-0
Structure
Synonyms	2,3-Naphthalenedimethanol, 1-(3,4-dihydroxyphenyl)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-, (1S,2R,3R)-
IUPAC Name	4-[(1S,2R,3R)-7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzene-1,2-diol
Molecular Weight	346.38
Molecular Formula	C19H22O6
Canonical SMILES	COC1=C(C=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)O)O
InChI	InChI=1S/C19H22O6/c1-25-18-6-11-4-12(8-20)14(9-21)19(13(11)7-17(18)24)10-2-3-15(22)16(23)5-10/h2-3,5-7,12,14,19-24H,4,8-9H2,1H3/t12-,14-,19-/m0/s1
InChI Key	GQLVRVYXAHDDLB-PJFSTRORSA-N
Boiling Point	607.5±55.0 °C
Melting Point	171 °C
Purity	98%
Density	1.348±0.06 g/ml
pKa	9.72±0.10
Appearance	Powder