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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C(CC)O)O)CC=C(C)C)O

Isomeric SMILES

CCC(C)C(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C(CC)O)O)CC=C(C)C)O

InChI

InChI=1S/C22H28O6/c1-6-12(5)19(25)18-21(27)13(9-8-11(3)4)20(26)17-14(15(23)7-2)10-16(24)28-22(17)18/h8,10,12,15,23,26-27H,6-7,9H2,1-5H3