65606-80-6 , 8-Methoxycarbonyloctyl 2-O-(a-L-fucopyranosyl)-3-O-(a-D-galactopyranosyl)-b-D-galactopyranoside ; Blood Group B trisaccharide-(CH2)8COOMe derivative

65606-80-6 , 8-Methoxycarbonyloctyl 2-O-(a-L-fucopyranosyl)-3-O-(a-D-galactopyranosyl)-b-D-galactopyranoside ;
Blood Group B trisaccharide-(CH2)8COOMe derivative,
Cas:65606-80-6
C28H50O17 / 658.69

8-Methoxycarbonyloctyl 2-O-(a-L-fucopyranosyl)-3-O-(a-D-galactopyranosyl)-b-D-galactopyranoside ;

Blood Group B trisaccharide-(CH2)8COOMe derivative

CAS Number	65606-80-6
Product Name	9-{[6-Deoxy-alpha-L-galactopyranosyl-(1->2)-[alpha-D-galactopyranosyl-(1->3)]-beta-D-galactopyranosyl]oxy}nonanoic acid
IUPAC Name	9-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxynonanoic acid
Molecular Formula	C28H50O17
Molecular Weight	658.69 g/mol
InChI	InChI=1S/C27H48O17/c1-12-16(32)19(35)21(37)25(40-12)44-24-23(43-26-22(38)20(36)17(33)13(10-28)41-26)18(34)14(11-29)42-27(24)39-9-7-5-3-2-4-6-8-15(30)31/h12-14,16-29,32-38H,2-11H2,1H3,(H,30,31)/t12-,13+,14+,16+,17-,18-,19+,20-,21-,22+,23-,24+,25-,26+,27+/m0/s1
InChI Key	IHECFZQILSBUQG-MJBVFWGBSA-N
SMILES	CC1C(C(C(C(O1)OC2C(C(C(OC2OCCCCCCCCC(=O)O)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O
Canonical SMILES	CC1C(C(C(C(O1)OC2C(C(C(OC2OCCCCCCCCC(=O)O)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O
Isomeric SMILES	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OCCCCCCCCC(=O)O)CO)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O