11-Dehydroxygrevilloside B

CAS	197307-49-6
Structure
Synonyms	β-D-Glucopyranoside, 3-hydroxy-5-pentylphenyl
IUPAC Name	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3-hydroxy-5-pentylphenoxy)oxane-3,4,5-triol
Molecular Weight	342.38
Molecular Formula	C17H26O7
Canonical SMILES	CCCCCC1=CC(=CC(=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChI	InChI=1S/C17H26O7/c1-2-3-4-5-10-6-11(19)8-12(7-10)23-17-16(22)15(21)14(20)13(9-18)24-17/h6-8,13-22H,2-5,9H2,1H3/t13-,14-,15+,16-,17-/m1/s1
InChI Key	MWVXDTUYXNKDPO-NQNKBUKLSA-N
Boiling Point	587.3±50.0 °C
Purity	98%
Density	1.330±0.06 g/ml
pKa	9.58±0.10
Appearance	Solid