methyl (2S,3R,4S)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[(E,6S)-10-(4-methoxyphenyl)-6-oxidanyl-4,8-bis(oxidanylidene)dec-1-enyl]-3,4-dihydro-2H-pyran-5-carboxylate

Systemtic Name: methyl (2S,3R,4S)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[(E,6S)-10-(4-methoxyphenyl)-6-oxidanyl-4,8-bis(oxidanylidene)dec-1-enyl]-3,4-dihydro-2H-pyran-5-carboxylate Openeye Name: methyl (2S,3R,4S)-4-[(E,6S)-6-hydroxy-10-(4-methoxyphenyl)-4,8-dioxo-dec-1-enyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate CAS Name: (2S,3R,4S)-3-ethenyl-4-[(E,6S)-6-hydroxy-10-(4-methoxyphenyl)-4,8-dioxodec-1-enyl]-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4-dihydro-2H-pyran-5-carboxylic acid methyl ester IUPAC Name: methyl (2S,3R,4S)-3-ethenyl-4-[(E,6S)-6-hydroxy-10-(4-methoxyphenyl)-4,8-dioxodec-1-enyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate Traditional Name: (2S,3R,4S)-4-[(E,6S)-6-hydroxy-4,8-diketo-10-(4-methoxyphenyl)dec-1-enyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylic acid methyl ester Formula: C32H42O13 MolecularWeight: 634.66808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)CC(CC(=O)CC=CC2C(C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)C=C)O

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)C[C@@H](CC(=O)C/C=C/[C@H]2[C@H]([C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C=C)O

InChI

InChI=1S/C32H42O13/c1-4-23-24(7-5-6-19(34)14-21(36)15-20(35)11-8-18-9-12-22(41-2)13-10-18)25(30(40)42-3)17-43-31(23)45-32-29(39)28(38)27(37)26(16-33)44-32/h4-5,7,9-10,12-13,17,21,23-24,26-29,31-33,36-39H,1,6,8,11,14-16H2,2-3H3/b7-5+/t21-,23-,24+,26-,27-,28+,29-,31+,32+/m1/s1