[5-ethenyl-6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanylidene-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl] (Z,2S)-2,6-dimethyl-8-oxidanyl-oct-6-enoate

Systemtic Name: [5-ethenyl-6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanylidene-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl] (Z,2S)-2,6-dimethyl-8-oxidanyl-oct-6-enoate Openeye Name: [1-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl] (Z,2S)-8-hydroxy-2,6-dimethyl-oct-6-enoate CAS Name: (Z,2S)-8-hydroxy-2,6-dimethyl-6-octenoic acid [5-ethenyl-1-oxo-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl] ester IUPAC Name: [5-ethenyl-1-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl] (Z,2S)-8-hydroxy-2,6-dimethyloct-6-enoate Traditional Name: (Z,2S)-8-hydroxy-2,6-dimethyl-oct-6-enoic acid [1-keto-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl] ester Formula: C26H38O12 MolecularWeight: 542.57272

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(=CCO)C)C(=O)OC1CC2C(C(OC=C2C(=O)O1)OC3C(C(C(C(O3)CO)O)O)O)C=C

Isomeric SMILES

C[C@@H](CCC/C(=C\CO)/C)C(=O)OC1CC2C(C(OC=C2C(=O)O1)O[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O)C=C

InChI

InChI=1S/C26H38O12/c1-4-15-16-10-19(36-23(32)14(3)7-5-6-13(2)8-9-27)37-24(33)17(16)12-34-25(15)38-26-22(31)21(30)20(29)18(11-28)35-26/h4,8,12,14-16,18-22,25-31H,1,5-7,9-11H2,2-3H3/b13-8-/t14-,15?,16?,18+,19?,20+,21+,22+,25?,26-/m0/s1