Isovalerylshikonin

[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbutanoate

Also Known As: Isovalerylshikonin|FS-8320|[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbutanoate|(R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthyl)-4-methyl-3-pentenyl isovalerate|((1R)-1-(5,8-Dihydroxy-1,4-Dioxonaphthalen-2-Yl)-4-Methylpent-3-Enyl) 3-Methylbutanoate|[(1R)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-methylbutanoate|5,8-Dihydroxy-2-[(R)-1-isovaleryloxy-4-methyl-3-pentenyl]-1,4-naphthalenedione|(1R)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 3-methylbutanoate|(R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-en-1-yl 3-methylbutanoate|1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-methyl-3-pentenyl 3-methylbutanoate #|3-Methylbutanoic acid (R)-1-(1,4-dioxo-5,8-dihydroxy-1,4-dihydronaphthalene-2-yl)-4-methyl-3-pentenyl ester|3-Methylbutanoic acid (R)-1-[(1,4-dioxo-5,8-dihydroxy-1,4-dihydronaphthalen)-2-yl]-4-methyl-3-pentenyl ester|Butanoic acid, 3-methyl-, (1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester (9CI); Butanoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (R)-

Molecular Formula	C21H24O6
Molecular Weight	372.1573 g/mol
LogP	4.8
Topological Polar Surface Area	101.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	372.1573
Monoisotopic Mass	372.1573
Heavy Atoms	27
Complexity	656.0

Chemical Identifiers

CAS Number	76549-35-4
SMILES	CC(C)CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O
InChIKey	UTOUNDHZJFIVPK-QGZVFWFLSA-N