methyl 6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-4a,7-bis(oxidanyl)-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

Systemtic Name: methyl 6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-4a,7-bis(oxidanyl)-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate Openeye Name: methyl 4a,7-dihydroxy-6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate CAS Name: 4a,7-dihydroxy-6-[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enoxy]-7-methyl-1-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester IUPAC Name: methyl 4a,7-dihydroxy-6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxy-7-methyl-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate Traditional Name: 4a,7-dihydroxy-6-[(E)-3-(4-methoxyphenyl)acryloyl]oxy-7-methyl-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester Formula: C35H42O18 MolecularWeight: 750.69718

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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)C=CC4=CC=C(C=C4)OC)(C)O)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(C(O1)OC2C3C(C(CC3(C(=CO2)C(=O)OC)O)OC(=O)/C=C/C4=CC=C(C=C4)OC)(C)O)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C35H42O18/c1-17(36)46-16-24-27(48-18(2)37)28(49-19(3)38)29(50-20(4)39)32(51-24)53-33-30-34(5,42)25(14-35(30,43)23(15-47-33)31(41)45-7)52-26(40)13-10-21-8-11-22(44-6)12-9-21/h8-13,15,24-25,27-30,32-33,42-43H,14,16H2,1-7H3/b13-10+