8-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-4-(1-oxidanylpropyl)chromen-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=O)OC2=C1C(=C(C(=C2C(=O)CC(C)C)O)CC=C(C)C)O)O

Isomeric SMILES

CCC(C1=CC(=O)OC2=C1C(=C(C(=C2C(=O)CC(C)C)O)CC=C(C)C)O)O

InChI

InChI=1S/C22H28O6/c1-6-15(23)14-10-17(25)28-22-18(14)20(26)13(8-7-11(2)3)21(27)19(22)16(24)9-12(4)5/h7,10,12,15,23,26-27H,6,8-9H2,1-5H3