71238-93-2
METHYL 3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-4,6-O-BENZYLIDENE-2-O-BENZOYL-ALPHA-D-GLUCOPYRANOSIDE
NameMETHYL 3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-4,6-O-BENZYLIDENE-2-O-BENZOYL-ALPHA-D-GLUCOPYRANOSIDE
1Identification
【Name】
METHYL 3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-4,6-O-BENZYLIDENE-2-O-BENZOYL-ALPHA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD09750891
【English Synonyms】
【Formula】
C35 H40 O16
【MolWeight】
716.685
【Inchi】
InChI=1S/C35H40O16/c1-18(36)42-16-24-26(44-19(2)37)28(45-20(3)38)31(46-21(4)39)35(48-24)51-29-27-25(17-43-33(50-27)23-14-10-7-11-15-23)47-34(41-5)30(29)49-32(40)22-12-8-6-9-13-22/h6-15,24-31,33-35H,16-17H2,1-5H3/t24-,25-,26-,27-,28+,29+,30-,31-,33?,34+,35+/m1/s1
【InChIKey】
InChIKey=BULYHPSCLBKULD-VXTYAMQSSA-N
【SMILES】
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]3[C@@H](COC(O3)c4ccccc4)O[C@@H]([C@@H]2OC(=O)c5ccccc5)OC)OC(=O)C)OC(=O)C)OC(=O)C
【MOL File】
METHYL 3-O-(2,3,4,6-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:16
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 3-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-4,6-O-BENZYLIDENE-2-O-BENZOYL-ALPHA-D-GLUCOPYRANOSIDE.cml