methyl (2S,3R,4S)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[[(2S,6R)-6-(4-hydroxyphenyl)-4-oxidanylidene-oxan-2-yl]methyl]-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-[[(2S,6R)-6-(4-hydroxyphenyl)-4-oxidanylidene-oxan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxylate Openeye Name: methyl (2S,3R,4S)-4-[[(2S,6R)-6-(4-hydroxyphenyl)-4-oxo-tetrahydropyran-2-yl]methyl]-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-[[(2S,6R)-6-(4-hydroxyphenyl)-4-oxo-2-oxanyl]methyl]-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-[[(2S,6R)-6-(4-hydroxyphenyl)-4-oxooxan-2-yl]methyl]-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-[[(2S,6R)-6-(4-hydroxyphenyl)-4-keto-tetrahydropyran-2-yl]methyl]-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: C27H34O12 MolecularWeight: 550.55166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=COC(C(C1CC2CC(=O)CC(O2)C3=CC=C(C=C3)O)C=C)OC4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

COC(=O)C1=CO[C@H]([C@@H]([C@@H]1C[C@H]2CC(=O)C[C@@H](O2)C3=CC=C(C=C3)O)C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

InChI

InChI=1S/C27H34O12/c1-3-17-18(10-16-8-15(30)9-20(37-16)13-4-6-14(29)7-5-13)19(25(34)35-2)12-36-26(17)39-27-24(33)23(32)22(31)21(11-28)38-27/h3-7,12,16-18,20-24,26-29,31-33H,1,8-11H2,2H3/t16-,17-,18+,20-,21-,22-,23+,24-,26+,27+/m1/s1