Description
Adoxoside is a natural product found in Castilleja sessiliflora and Fouquieria splendens.
Synonyms
(1S)-1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-7α-(hydroxymethyl)cyclopenta[c]pyran-4α-carboxylic acid methyl ester; Methyl (1S,4aS,7S,7aS)-1-(β-D-glucopyranosyloxy)-7-(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate; Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-(hydroxymethyl)-, methyl ester, (1S,4aS,7S,7aS)-
IUPAC Name
methyl (1S,4aS,7S,7aS)-7-(hydroxymethyl)-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-carboxylate
Molecular Formula
C17H26O10
Canonical SMILES
COC(=O)C1=COC(C2C1CCC2CO)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C17H26O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h6-8,10-14,16-22H,2-5H2,1H3/t7-,8-,10-,11-,12-,13+,14-,16+,17+/m1/s1
InChIKey
MAHXAEHBKGBEBY-OBFZKGLGSA-N
Boiling Point
615.9±55.0°C at 760 mmHg
Solubility
Soluble in Acetone, Chloroform, Dichloromethane, DMSO, Ethyl Acetate
Appearance
Amorphous Powder