[(1R,2E,4S,6Z,9E,11R)-7-(hydroxymethyl)-4,11-dimethyl-4-[4-methyl-3,4-bis(oxidanyl)pentyl]-11-oxidanyl-8-oxidanylidene-cycloundeca-2,6,9-trien-1-yl] 3-methylbut-2-enoate

Systemtic Name: [(1R,2E,4S,6Z,9E,11R)-7-(hydroxymethyl)-4,11-dimethyl-4-[4-methyl-3,4-bis(oxidanyl)pentyl]-11-oxidanyl-8-oxidanylidene-cycloundeca-2,6,9-trien-1-yl] 3-methylbut-2-enoate Openeye Name: [(1R,2E,4S,6Z,9E,11R)-4-(3,4-dihydroxy-4-methyl-pentyl)-11-hydroxy-7-(hydroxymethyl)-4,11-dimethyl-8-oxo-cycloundeca-2,6,9-trien-1-yl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic acid [(1R,2E,4S,6Z,9E,11R)-4-(3,4-dihydroxy-4-methylpentyl)-11-hydroxy-7-(hydroxymethyl)-4,11-dimethyl-8-oxo-1-cycloundeca-2,6,9-trienyl] ester IUPAC Name: [(1R,2E,4S,6Z,9E,11R)-4-(3,4-dihydroxy-4-methylpentyl)-11-hydroxy-7-(hydroxymethyl)-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [(1R,2E,4S,6Z,9E,11R)-4-(3,4-dihydroxy-4-methyl-pentyl)-11-hydroxy-8-keto-4,11-dimethyl-7-methylol-cycloundeca-2,6,9-trien-1-yl] ester Formula: C25H38O7 MolecularWeight: 450.56502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC1C=CC(CC=C(C(=O)C=CC1(C)O)CO)(C)CCC(C(C)(C)O)O)C

Isomeric SMILES

CC(=CC(=O)O[C@@H]1/C=C/[C@@](C/C=C(\C(=O)/C=C/[C@@]1(C)O)/CO)(C)CCC(C(C)(C)O)O)C

InChI

InChI=1S/C25H38O7/c1-17(2)15-22(29)32-21-10-13-24(5,12-9-20(28)23(3,4)30)11-7-18(16-26)19(27)8-14-25(21,6)31/h7-8,10,13-15,20-21,26,28,30-31H,9,11-12,16H2,1-6H3/b13-10+,14-8+,18-7-/t20?,21-,24-,25-/m1/s1