(1R,5R,6R,7S)-5-butanoyl-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-2-oxidanyl-bicyclo[3.3.1]non-2-ene-4,9-dione

Systemtic Name: (1R,5R,6R,7S)-5-butanoyl-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-2-oxidanyl-bicyclo[3.3.1]non-2-ene-4,9-dione Openeye Name: (1R,5R,6R,7S)-5-butanoyl-2-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]non-2-ene-4,9-dione CAS Name: (1R,5R,6R,7S)-2-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(1-oxobutyl)bicyclo[3.3.1]non-2-ene-4,9-dione IUPAC Name: (1R,5R,6R,7S)-5-butanoyl-2-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]non-2-ene-4,9-dione Traditional Name: (1R,5R,6R,7S)-5-butyryl-2-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)bicyclo[3.3.1]non-2-ene-4,9-quinone Formula: C35H52O4 MolecularWeight: 536.78498

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C

Isomeric SMILES

CCCC(=O)[C@]12C(=O)C(=C([C@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C

InChI

InChI=1S/C35H52O4/c1-11-13-29(36)35-31(38)28(18-16-25(6)7)30(37)34(32(35)39,21-19-26(8)9)22-27(17-15-24(4)5)33(35,10)20-12-14-23(2)3/h14-16,19,27,37H,11-13,17-18,20-22H2,1-10H3/t27-,33+,34+,35-/m0/s1