Paederoside

CAS	20547-45-9
IUPAC Name	[(4S,7S,8S,11S)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl methylsulfanylformate
Molecular Weight	446.43
Molecular Formula	C18H22O11S
Canonical SMILES	CSC(=O)OCC1=C[C@H]2[C@H]3[C@@H]1[C@@H](OC=C3C(=O)O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI	InChI=1S/C18H22O11S/c1-30-18(24)26-4-6-2-8-11-7(15(23)27-8)5-25-16(10(6)11)29-17-14(22)13(21)12(20)9(3-19)28-17/h2,5,8-14,16-17,19-22H,3-4H2,1H3/t8-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1
InChI Key	OJISWUQNQQWEND-FCVLBCLDSA-N
Boiling Point	737.3±70.0 °C
Melting Point	122-123 °C
Purity	98%
Density	1.65±0.1 g/ml
pKa	12.76±0.70
Appearance	Powder