(1S,2S,5S)-2-methyl-5-[1-oxidanyl-1-oxidanylidene-3-[(2R,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxy-propan-2-yl]cyclopentane-1-carboxylic acid

Systemtic Name: (1S,2S,5S)-2-methyl-5-[1-oxidanyl-1-oxidanylidene-3-[(2R,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxy-propan-2-yl]cyclopentane-1-carboxylic acid Openeye Name: (1S,2S,5S)-2-[2-hydroxy-2-oxo-1-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]ethyl]-5-methyl-cyclopentanecarboxylic acid CAS Name: (1S,2S,5S)-2-[1-hydroxy-1-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(E)-1-oxo-3-phenylprop-2-enoxy]methyl]-2-oxanyl]oxy]propan-2-yl]-5-methyl-1-cyclopentanecarboxylic acid IUPAC Name: (1S,2S,5S)-2-[1-hydroxy-1-oxo-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl]oxypropan-2-yl]-5-methylcyclopentane-1-carboxylic acid Traditional Name: (1S,2S,5S)-2-[2-hydroxy-2-keto-1-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(E)-3-phenylacryloyl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]ethyl]-5-methyl-cyclopentanecarboxylic acid Formula: C25H32O11 MolecularWeight: 508.51498

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C1C(=O)O)C(COC2C(C(C(C(O2)COC(=O)C=CC3=CC=CC=C3)O)O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H32O11/c1-13-7-9-15(19(13)24(32)33)16(23(30)31)11-35-25-22(29)21(28)20(27)17(36-25)12-34-18(26)10-8-14-5-3-2-4-6-14/h2-6,8,10,13,15-17,19-22,25,27-29H,7,9,11-12H2,1H3,(H,30,31)(H,32,33)/b10-8+/t13-,15+,16?,17-,19-,20-,21-,22-,25+/m0/s1