[(1S,4aS,6S,7R,7aS)-7-acetyloxy-4-methanoyl-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [(1S,4aS,6S,7R,7aS)-7-acetyloxy-4-methanoyl-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate Openeye Name: [(1S,4aS,6S,7R,7aS)-7-acetoxy-4-formyl-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [(1S,4aS,6S,7R,7aS)-7-acetyloxy-4-formyl-7-methyl-1-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] ester IUPAC Name: [(1S,4aS,6S,7R,7aS)-7-acetyloxy-4-formyl-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [(1S,4aS,6S,7R,7aS)-7-acetoxy-4-formyl-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-6-yl] ester Formula: C35H40O16 MolecularWeight: 716.6825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C3C(CC(C3(C)OC(=O)C)OC(=O)C=CC4=CC=CC=C4)C(=CO2)C=O)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric 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](C[C@@H]([C@]3(C)OC(=O)C)OC(=O)/C=C/C4=CC=CC=C4)C(=CO2)C=O)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C35H40O16/c1-18(37)43-17-26-30(45-19(2)38)31(46-20(3)39)32(47-21(4)40)34(48-26)50-33-29-25(24(15-36)16-44-33)14-27(35(29,6)51-22(5)41)49-28(42)13-12-23-10-8-7-9-11-23/h7-13,15-16,25-27,29-34H,14,17H2,1-6H3/b13-12+/t25-,26-,27+,29-,30-,31+,32-,33+,34+,35+/m1/s1