methyl (1S,4aR,6S,7R,7aS)-7-acetyloxy-7-methyl-4a-oxidanyl-6-(phenylcarbonyloxy)-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

Systemtic Name: methyl (1S,4aR,6S,7R,7aS)-7-acetyloxy-7-methyl-4a-oxidanyl-6-(phenylcarbonyloxy)-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate Openeye Name: methyl (1S,4aR,6S,7R,7aS)-7-acetoxy-6-benzoyloxy-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate CAS Name: (1S,4aR,6S,7R,7aS)-7-acetyloxy-6-benzoyloxy-4a-hydroxy-7-methyl-1-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,4aR,6S,7R,7aS)-7-acetyloxy-6-benzoyloxy-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate Traditional Name: (1S,4aR,6S,7R,7aS)-7-acetoxy-6-benzoyloxy-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester Formula: C34H40O18 MolecularWeight: 736.6706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C3C(C(CC3(C(=CO2)C(=O)OC)O)OC(=O)C4=CC=CC=C4)(C)OC(=O)C)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@@]([C@H](C[C@@]3(C(=CO2)C(=O)OC)O)OC(=O)C4=CC=CC=C4)(C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C34H40O18/c1-16(35)44-15-23-25(46-17(2)36)26(47-18(3)37)27(48-19(4)38)31(49-23)51-32-28-33(6,52-20(5)39)24(50-29(40)21-11-9-8-10-12-21)13-34(28,42)22(14-45-32)30(41)43-7/h8-12,14,23-28,31-32,42H,13,15H2,1-7H3/t23-,24+,25-,26+,27-,28-,31+,32+,33+,34+/m1/s1