10-Hydroxyoleoside 11-Methyl Ester

CAS	131836-11-8
Synonyms	(2S)-3-[(E)-2-Hydroxyethylidene]-2β-(β-D-glucopyranosyloxy)-2,3-dihydro-5-(methoxycarbonyl)-4H-pyran-4α-acetic acid
IUPAC Name	2-[(2S,3E,4S)-3-(2-hydroxyethylidene)-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-4-yl]acetic acid
Molecular Weight	420.37
Molecular Formula	C17H24O12
Canonical SMILES	COC(=O)C1=CO[C@H](/C(=C/CO)/[C@@H]1CC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI	InChI=1S/C17H24O12/c1-26-15(25)9-6-27-16(7(2-3-18)8(9)4-11(20)21)29-17-14(24)13(23)12(22)10(5-19)28-17/h2,6,8,10,12-14,16-19,22-24H,3-5H2,1H3,(H,20,21)/b7-2+/t8-,10+,12+,13-,14+,16-,17-/m0/s1
InChI Key	GXXBBPZLNJMTDC-KPZJISDNSA-N
Boiling Point	725.6±60.0 °C
Purity	98%
Density	1.59±0.1 g/ml
pKa	4.33±0.10
Appearance	Solid