Description
Paniculoside II is a natural diterpenoid found in the herbs of Stevia rebaudiana.
Synonyms
(4R,15R)-11β,15-Dihydroxykaur-16-en-18-oic acid [β-D-glucopyranosyl] ester; Kaur-16-en-18-oic acid, 11,15-dihydroxy-, β-D-glucopyranosyl ester, (4α,11β,15β)-
IUPAC Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9R,10S,11S,13S,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Molecular Formula
C26H40O9
Canonical SMILES
CC12CCCC(C1CCC34C2C(CC(C3)C(=C)C4O)O)(C)C(=O)OC5C(C(C(C(O5)CO)O)O)O
InChI
InChI=1S/C26H40O9/c1-12-13-9-14(28)20-24(2)6-4-7-25(3,16(24)5-8-26(20,10-13)21(12)32)23(33)35-22-19(31)18(30)17(29)15(11-27)34-22/h13-22,27-32H,1,4-11H2,2-3H3/t13-,14+,15-,16+,17-,18+,19-,20+,21-,22+,24-,25-,26-/m1/s1
InChIKey
OHCCJDCXGVSWSO-WWXRUBGDSA-N
Boiling Point
672.4±55.0 °C(Predicted)
Density
1.39±0.1 g/cm3(Predicted)
pKa
12.51±0.70(Predicted)