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

Systemtic Name: [(1R,2E,4S,6Z,9Z,11R)-7-(hydroxymethyl)-4,11-dimethyl-4-(4-methylpent-3-enyl)-11-oxidanyl-8-oxidanylidene-cycloundeca-2,6,9-trien-1-yl] 3-methylbut-2-enoate Openeye Name: [(1R,2E,4S,6Z,9Z,11R)-11-hydroxy-7-(hydroxymethyl)-4,11-dimethyl-4-(4-methylpent-3-enyl)-8-oxo-cycloundeca-2,6,9-trien-1-yl] 3-methylbut-2-enoate CAS Name: 3-methyl-2-butenoic acid [(1R,2E,4S,6Z,9Z,11R)-11-hydroxy-7-(hydroxymethyl)-4,11-dimethyl-4-(4-methylpent-3-enyl)-8-oxo-1-cycloundeca-2,6,9-trienyl] ester IUPAC Name: [(1R,2E,4S,6Z,9Z,11R)-11-hydroxy-7-(hydroxymethyl)-4,11-dimethyl-4-(4-methylpent-3-enyl)-8-oxocycloundeca-2,6,9-trien-1-yl] 3-methylbut-2-enoate Traditional Name: 3-methylbut-2-enoic acid [(1R,2E,4S,6Z,9Z,11R)-11-hydroxy-8-keto-4,11-dimethyl-7-methylol-4-(4-methylpent-3-enyl)cycloundeca-2,6,9-trien-1-yl] ester Formula: C25H36O5 MolecularWeight: 416.55034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC1(CC=C(C(=O)C=CC(C(C=C1)OC(=O)C=C(C)C)(C)O)CO)C)C

Isomeric SMILES

CC(=CCC[C@]\1(C/C=C(\C(=O)/C=C\[C@@]([C@@H](/C=C1)OC(=O)C=C(C)C)(C)O)/CO)C)C

InChI

InChI=1S/C25H36O5/c1-18(2)8-7-12-24(5)13-9-20(17-26)21(27)10-15-25(6,29)22(11-14-24)30-23(28)16-19(3)4/h8-11,14-16,22,26,29H,7,12-13,17H2,1-6H3/b14-11+,15-10-,20-9-/t22-,24+,25-/m1/s1