Traxillaside

CAS	149415-62-3
Synonyms	2(3H)-Furanone, 3-[[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]methyl]dihydro-4-[(3,4,5-trimethoxyphenyl)methyl]-, (3R,4R)-
IUPAC Name	(3R,4R)-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Molecular Weight	564.59
Molecular Formula	C28H36O12
Canonical SMILES	COC1=CC(=CC(=C1OC)OC)CC2COC(=O)C2CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC
InChI	InChI=1S/C28H36O12/c1-34-19-9-14(5-6-18(19)39-28-25(32)24(31)23(30)22(12-29)40-28)8-17-16(13-38-27(17)33)7-15-10-20(35-2)26(37-4)21(11-15)36-3/h5-6,9-11,16-17,22-25,28-32H,7-8,12-13H2,1-4H3/t16-,17+,22+,23+,24-,25+,28+/m0/s1
InChI Key	IPSLAOALYPCJBD-XMCPWRAQSA-N
Boiling Point	772.0±60.0 °C
Purity	98%
Density	1.357±0.06 g/ml
pKa	12.83±0.70
Appearance	Powder