82185-93-1
METHYL 2-O-ALLYL-4,6-O-BENZYLIDENE-3-O-(2',3',4',6'-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-ALPHA-D-MANNOPYRANOSIDE
NameMETHYL 2-O-ALLYL-4,6-O-BENZYLIDENE-3-O-(2',3',4',6'-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-ALPHA-D-MANNOPYRANOSIDE
1Identification
【Name】
METHYL 2-O-ALLYL-4,6-O-BENZYLIDENE-3-O-(2',3',4',6'-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-ALPHA-D-MANNOPYRANOSIDE
【CAS】
【MDL】
MFCD09840908
【English Synonyms】
【Formula】
C31 H40 O15
【MolWeight】
652.642
【Inchi】
InChI=1S/C31H40O15/c1-7-13-37-27-25(24-22(43-30(27)36-6)15-39-29(45-24)20-11-9-8-10-12-20)46-31-28(42-19(5)35)26(41-18(4)34)23(40-17(3)33)21(44-31)14-38-16(2)32/h7-12,21-31H,1,13-15H2,2-6H3/t21-,22-,23-,24-,25+,26+,27+,28+,29?,30+,31-/m1/s1
【InChIKey】
InChIKey=LREVFJBIKFYMNU-UVSHWGQYSA-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]2OCC=C)OC)OC(=O)C)OC(=O)C)OC(=O)C
【MOL File】
METHYL 2-O-ALLYL-4,6….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:15
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 2-O-ALLYL-4,6-O-BENZYLIDENE-3-O-(2',3',4',6'-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-ALPHA-D-MANNOPYRANOSIDE.cml