6-(3-methylbutanoyl)-8-(3-methyl-2-oxidanyl-but-3-enyl)-5,7-bis(oxidanyl)-4-propyl-chromen-2-one

Systemtic Name: 6-(3-methylbutanoyl)-8-(3-methyl-2-oxidanyl-but-3-enyl)-5,7-bis(oxidanyl)-4-propyl-chromen-2-one Openeye Name: 5,7-dihydroxy-8-(2-hydroxy-3-methyl-but-3-enyl)-6-(3-methylbutanoyl)-4-propyl-chromen-2-one CAS Name: 5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-6-(3-methyl-1-oxobutyl)-4-propyl-1-benzopyran-2-one IUPAC Name: 5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-6-(3-methylbutanoyl)-4-propylchromen-2-one Traditional Name: 5,7-dihydroxy-8-(2-hydroxy-3-methyl-but-3-enyl)-6-isovaleryl-4-propyl-coumarin Formula: C22H28O6 MolecularWeight: 388.45412

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C(=C(C(=C2CC(C(=C)C)O)O)C(=O)CC(C)C)O

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C(=C(C(=C2CC(C(=C)C)O)O)C(=O)CC(C)C)O

InChI

InChI=1S/C22H28O6/c1-6-7-13-9-17(25)28-22-14(10-15(23)12(4)5)20(26)19(21(27)18(13)22)16(24)8-11(2)3/h9,11,15,23,26-27H,4,6-8,10H2,1-3,5H3