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

Systemtic Name: methyl (1S,4aS,5S,6R,7S,7aR)-5,6-diacetyloxy-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-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,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)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,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-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,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)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,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester Formula: C21H30O13 MolecularWeight: 490.4551

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H30O13/c1-7-12-13(18(32-9(3)24)17(7)31-8(2)23)10(19(28)29-4)6-30-20(12)34-21-16(27)15(26)14(25)11(5-22)33-21/h6-7,11-18,20-22,25-27H,5H2,1-4H3/t7-,11+,12+,13+,14+,15-,16+,17+,18-,20-,21-/m0/s1