(1S,5S,7R)-2-methoxy-6,6-dimethyl-1-(3-methylbut-2-enyl)-5-(phenylcarbonyl)-3,7-bis(prop-2-enyl)bicyclo[3.3.1]non-2-ene-4,9-dione

Systemtic Name: (1S,5S,7R)-2-methoxy-6,6-dimethyl-1-(3-methylbut-2-enyl)-5-(phenylcarbonyl)-3,7-bis(prop-2-enyl)bicyclo[3.3.1]non-2-ene-4,9-dione Openeye Name: (1S,5S,7R)-3,7-diallyl-5-benzoyl-2-methoxy-6,6-dimethyl-1-(3-methylbut-2-enyl)bicyclo[3.3.1]non-2-ene-4,9-dione CAS Name: (1S,5S,7R)-5-benzoyl-2-methoxy-6,6-dimethyl-1-(3-methylbut-2-enyl)-3,7-bis(prop-2-enyl)bicyclo[3.3.1]non-2-ene-4,9-dione IUPAC Name: (1S,5S,7R)-5-benzoyl-2-methoxy-6,6-dimethyl-1-(3-methylbut-2-enyl)-3,7-bis(prop-2-enyl)bicyclo[3.3.1]non-2-ene-4,9-dione Traditional Name: (1S,5S,7R)-3,7-diallyl-5-benzoyl-2-methoxy-6,6-dimethyl-1-(3-methylbut-2-enyl)bicyclo[3.3.1]non-2-ene-4,9-quinone Formula: C30H36O4 MolecularWeight: 460.60444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC12CC(C(C(C1=O)(C(=O)C(=C2OC)CC=C)C(=O)C3=CC=CC=C3)(C)C)CC=C)C

Isomeric SMILES

CC(=CC[C@@]12C[C@H](C([C@@](C1=O)(C(=O)C(=C2OC)CC=C)C(=O)C3=CC=CC=C3)(C)C)CC=C)C

InChI

InChI=1S/C30H36O4/c1-8-13-22-19-29(18-17-20(3)4)26(34-7)23(14-9-2)25(32)30(27(29)33,28(22,5)6)24(31)21-15-11-10-12-16-21/h8-12,15-17,22H,1-2,13-14,18-19H2,3-7H3/t22-,29+,30-/m1/s1