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

Systemtic Name: methyl (1S,4aS,5S,6R,7S,7aR)-5,6-diacetyloxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Openeye Name: methyl (1S,4aS,5S,6R,7S,7aR)-5,6-diacetoxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate CAS Name: (1S,4aS,5S,6R,7S,7aR)-5,6-diacetyloxy-7-methyl-1-[[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,4aS,5S,6R,7S,7aR)-5,6-diacetyloxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Traditional Name: (1S,4aS,5S,6R,7S,7aR)-5,6-diacetoxy-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester Formula: C29H38O17 MolecularWeight: 658.60182

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(C1OC(=O)C)OC(=O)C)C(=COC2OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC

Isomeric SMILES

C[C@H]1[C@@H]2[C@H]([C@@H]([C@@H]1OC(=O)C)OC(=O)C)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC

InChI

InChI=1S/C29H38O17/c1-11-20-21(24(42-15(5)33)22(11)40-13(3)31)18(27(36)37-8)9-39-28(20)46-29-26(44-17(7)35)25(43-16(6)34)23(41-14(4)32)19(45-29)10-38-12(2)30/h9,11,19-26,28-29H,10H2,1-8H3/t11-,19+,20+,21+,22+,23+,24-,25-,26+,28-,29-/m0/s1