(2Z,3E,5E,7E,9E,11E,13E)-14-[(2R,3R,4S)-3,4-bis(oxidanyl)-5-oxidanylidene-2-[1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-7-yl]-2-(2,4-dimethylhexylidene)-4-methyl-tetradeca-3,5,7,9,11,13-hexaenoic acid

Systemtic Name: (2Z,3E,5E,7E,9E,11E,13E)-14-[(2R,3R,4S)-3,4-bis(oxidanyl)-5-oxidanylidene-2-[1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyrano[3,2-c]pyran-7-yl]-2-(2,4-dimethylhexylidene)-4-methyl-tetradeca-3,5,7,9,11,13-hexaenoic acid Openeye Name: (2Z,3E,5E,7E,9E,11E,13E)-14-[(2R,3R,4S)-3,4-dihydroxy-5-oxo-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyrano[3,2-c]pyran-7-yl]-2-(2,4-dimethylhexylidene)-4-methyl-tetradeca-3,5,7,9,11,13-hexaenoic acid CAS Name: (2Z,3E,5E,7E,9E,11E,13E)-14-[(2R,3R,4S)-3,4-dihydroxy-5-oxo-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyrano[3,2-c]pyran-7-yl]-2-(2,4-dimethylhexylidene)-4-methyltetradeca-3,5,7,9,11,13-hexaenoic acid IUPAC Name: (2Z,3E,5E,7E,9E,11E,13E)-14-[(2R,3R,4S)-3,4-dihydroxy-5-oxo-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyrano[3,2-c]pyran-7-yl]-2-(2,4-dimethylhexylidene)-4-methyltetradeca-3,5,7,9,11,13-hexaenoic acid Traditional Name: (2Z,3E,5E,7E,9E,11E,13E)-14-[(2R,3R,4S)-3,4-dihydroxy-5-keto-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyrano[3,2-c]pyran-7-yl]-2-(2,4-dimethylhexylidene)-4-methyl-tetradeca-3,5,7,9,11,13-hexaenoic acid Formula: C34H44O10 MolecularWeight: 612.70716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(C)C=C(C=C(C)C=CC=CC=CC=CC=CC1=CC2=C(C(C(C(O2)C(C(CO)O)O)O)O)C(=O)O1)C(=O)O

Isomeric SMILES

CCC(C)CC(C)/C=C(/C=C(\C)/C=C/C=C/C=C/C=C/C=C/C1=CC2=C([C@@H]([C@H]([C@@H](O2)C(C(CO)O)O)O)O)C(=O)O1)\C(=O)O

InChI

InChI=1S/C34H44O10/c1-5-21(2)16-23(4)18-24(33(40)41)17-22(3)14-12-10-8-6-7-9-11-13-15-25-19-27-28(34(42)43-25)30(38)31(39)32(44-27)29(37)26(36)20-35/h6-15,17-19,21,23,26,29-32,35-39H,5,16,20H2,1-4H3,(H,40,41)/b7-6+,10-8+,11-9+,14-12+,15-13+,22-17+,24-18-/t21?,23?,26?,29?,30-,31+,32-/m0/s1