8-epideoxyloganic acid

For Research Use Only.
Category
Iridoid derivatives
Cat.No.
NP3747
CAS
88668-99-9
Product Name
8-epideoxyloganic acid
Structure

Product Details

Description
8-Epideoxyloganic acid isolated from Incarvillea.
Synonyms
Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, (1S,4aS,7R,7aR)-
IUPAC Name
(1S,4aS,7R,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
Molecular Weight
360.36
Molecular Formula
C16H24O9
Canonical SMILES
CC1CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1
InChIKey
DSXFHNSGLYXPNG-PKUPRILXSA-N
Boiling Point
597.2±50.0°C (Predicted)
Purity
0.98
Density
1.5±0.1 g/cm3
Appearance
Powder
Application
antinociceptive;
pKa
4.65±0.60(Predicted)
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