Nudiposide

CAS	62058-46-2
Synonyms	[(1R)-1,2,3,4-Tetrahydro-7-hydroxy-1β-(4-hydroxy-3,5-dimethoxyphenyl)-3β-hydroxymethyl-6,8-dimethoxynaphthalen-2α-yl]methyl β-D-xylopyranoside
IUPAC Name	(2R,3R,4S,5R)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol
Molecular Weight	552.57
Molecular Formula	C27H36O12
Canonical SMILES	COC1=CC(=CC(=C1O)OC)C2C(C(CC3=CC(=C(C(=C23)OC)O)OC)CO)COC4C(C(C(CO4)O)O)O
InChI	InChI=1S/C27H36O12/c1-34-17-7-13(8-18(35-2)23(17)31)20-15(10-38-27-25(33)22(30)16(29)11-39-27)14(9-28)5-12-6-19(36-3)24(32)26(37-4)21(12)20/h6-8,14-16,20,22,25,27-33H,5,9-11H2,1-4H3/t14-,15-,16-,20+,22+,25-,27-/m1/s1
InChI Key	GWDZRGQRNHELQM-NHJKQUFYSA-N
Boiling Point	756.0±60.0 °C
Purity	98%
Density	1.46±0.1 g/ml
pKa	10.05±0.40
Appearance	Powder