[(2S,3S,4R,5R,6S)-6-[[(4aS,7aS)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (2E)-7-(hydroxymethyl)-2,6-dimethyl-8-oxidanyl-octa-2,6-dienoate

Systemtic Name: [(2S,3S,4R,5R,6S)-6-[[(4aS,7aS)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (2E)-7-(hydroxymethyl)-2,6-dimethyl-8-oxidanyl-octa-2,6-dienoate Openeye Name: [(2S,3S,4R,5R,6S)-6-[[(4aS,7aS)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxy-2-(hydroxymethyl)tetrahydropyran-2-yl] (2E)-8-hydroxy-7-(hydroxymethyl)-2,6-dimethyl-octa-2,6-dienoate CAS Name: (2E)-8-hydroxy-7-(hydroxymethyl)-2,6-dimethylocta-2,6-dienoic acid [(2S,3S,4R,5R,6S)-6-[[(4aS,7aS)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxy-2-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: [(2S,3S,4R,5R,6S)-6-[[(4aS,7aS)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxy-2-(hydroxymethyl)oxan-2-yl] (2E)-8-hydroxy-7-(hydroxymethyl)-2,6-dimethylocta-2,6-dienoate Traditional Name: (2E)-8-hydroxy-2,6-dimethyl-7-methylol-octa-2,6-dienoic acid [(2S,3S,4R,5R,6S)-6-[[(4aS,7aS)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxy-2-methylol-tetrahydropyran-2-yl] ester Formula: C25H36O11 MolecularWeight: 512.54674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CO)CO)CCC=C(C)C(=O)OC1(C(C(C(C(O1)OC2C3C=CCC3C=CO2)O)O)O)CO

Isomeric SMILES

CC(=C(CO)CO)CC/C=C(\C)/C(=O)O[C@]1([C@H]([C@@H]([C@H]([C@H](O1)OC2[C@H]3C=CC[C@H]3C=CO2)O)O)O)CO

InChI

InChI=1S/C25H36O11/c1-14(17(11-26)12-27)5-3-6-15(2)22(32)35-25(13-28)21(31)19(29)20(30)24(36-25)34-23-18-8-4-7-16(18)9-10-33-23/h4,6,8-10,16,18-21,23-24,26-31H,3,5,7,11-13H2,1-2H3/b15-6+/t16-,18-,19+,20+,21-,23?,24-,25+/m0/s1