6-methyl-4-(3-methylbutanoyl)-2,2,6-tris(3-methylbut-2-enyl)-5-oxidanyl-cyclohex-4-ene-1,3-dione

Systemtic Name: 6-methyl-4-(3-methylbutanoyl)-2,2,6-tris(3-methylbut-2-enyl)-5-oxidanyl-cyclohex-4-ene-1,3-dione Openeye Name: 5-hydroxy-6-methyl-4-(3-methylbutanoyl)-2,2,6-tris(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione CAS Name: 5-hydroxy-6-methyl-2,2,6-tris(3-methylbut-2-enyl)-4-(3-methyl-1-oxobutyl)cyclohex-4-ene-1,3-dione IUPAC Name: 5-hydroxy-6-methyl-4-(3-methylbutanoyl)-2,2,6-tris(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione Traditional Name: 5-hydroxy-4-isovaleryl-6-methyl-2,2,6-tris(3-methylbut-2-enyl)cyclohex-4-ene-1,3-quinone Formula: C27H40O4 MolecularWeight: 428.6041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(C(C(=O)C(C1=O)(CC=C(C)C)CC=C(C)C)(C)CC=C(C)C)O

Isomeric SMILES

CC(C)CC(=O)C1=C(C(C(=O)C(C1=O)(CC=C(C)C)CC=C(C)C)(C)CC=C(C)C)O

InChI

InChI=1S/C27H40O4/c1-17(2)10-13-26(9)23(29)22(21(28)16-20(7)8)24(30)27(25(26)31,14-11-18(3)4)15-12-19(5)6/h10-12,20,29H,13-16H2,1-9H3