(2S,4S)-3-ethyl-2-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxidanylidene-ethyl]-3,4-dihydro-2H-pyran-5-carboxylic acid

Systemtic Name: (2S,4S)-3-ethyl-2-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxidanylidene-ethyl]-3,4-dihydro-2H-pyran-5-carboxylic acid Openeye Name: (2S,4S)-3-ethyl-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxo-ethyl]-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid CAS Name: (2S,4S)-3-ethyl-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-2-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4-dihydro-2H-pyran-5-carboxylic acid IUPAC Name: (2S,4S)-3-ethyl-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid Traditional Name: (2S,4S)-3-ethyl-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-keto-ethyl]-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid Formula: C24H32O12 MolecularWeight: 512.50368

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)O)CC(=O)OCCC3=CC=C(C=C3)O

Isomeric SMILES

CCC1[C@@H](C(=CO[C@H]1OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O)CC(=O)OCCC3=CC=C(C=C3)O

InChI

InChI=1S/C24H32O12/c1-2-14-15(9-18(27)33-8-7-12-3-5-13(26)6-4-12)16(22(31)32)11-34-23(14)36-24-21(30)20(29)19(28)17(10-25)35-24/h3-6,11,14-15,17,19-21,23-26,28-30H,2,7-10H2,1H3,(H,31,32)/t14?,15-,17+,19+,20-,21+,23-,24?/m0/s1