3-[7,7-dimethyl-4a,6-bis(3-methylbut-2-enyl)-3-(2-methylpropanoyl)-2-oxidanyl-4-oxidanylidene-5,6-dihydrochromen-8-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[7,7-dimethyl-4a,6-bis(3-methylbut-2-enyl)-3-(2-methylpropanoyl)-2-oxidanyl-4-oxidanylidene-5,6-dihydrochromen-8-yl]-3-phenyl-propanoic acid Openeye Name: 3-[2-hydroxy-7,7-dimethyl-4a,6-bis(3-methylbut-2-enyl)-3-(2-methylpropanoyl)-4-oxo-5,6-dihydrochromen-8-yl]-3-phenyl-propanoic acid CAS Name: 3-[2-hydroxy-7,7-dimethyl-4a,6-bis(3-methylbut-2-enyl)-3-(2-methyl-1-oxopropyl)-4-oxo-5,6-dihydro-1-benzopyran-8-yl]-3-phenylpropanoic acid IUPAC Name: 3-[2-hydroxy-7,7-dimethyl-4a,6-bis(3-methylbut-2-enyl)-3-(2-methylpropanoyl)-4-oxo-5,6-dihydrochromen-8-yl]-3-phenylpropanoic acid Traditional Name: 3-[2-hydroxy-3-isobutyryl-4-keto-7,7-dimethyl-4a,6-bis(3-methylbut-2-enyl)-5,6-dihydrochromen-8-yl]-3-phenyl-propionic acid Formula: C34H44O6 MolecularWeight: 548.70956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=C(OC2=C(C(C(CC2(C1=O)CC=C(C)C)CC=C(C)C)(C)C)C(CC(=O)O)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)C(=O)C1=C(OC2=C(C(C(CC2(C1=O)CC=C(C)C)CC=C(C)C)(C)C)C(CC(=O)O)C3=CC=CC=C3)O

InChI

InChI=1S/C34H44O6/c1-20(2)14-15-24-19-34(17-16-21(3)4)30(38)27(29(37)22(5)6)32(39)40-31(34)28(33(24,7)8)25(18-26(35)36)23-12-10-9-11-13-23/h9-14,16,22,24-25,39H,15,17-19H2,1-8H3,(H,35,36)