Isoarnebin I

Molecular Formula: C21H22O6


InChI: InChI=1/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3

InChIKey: InChIKey=BATBOVZTQBLKIL-UHFFFAOYAO
SMILES: CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C=C(C)C)C

Names:
    beta,beta-Dimethylacrylshikonin
    Dmask
    Isoarnebin I
    Shikonin beta,beta-dimethylacrylate
    2-Butenoic acid, 3-methyl-, (1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester
    2-Butenoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (R)-
    2-BUTENOIC ACID, 3-METHYL-, 1-(1,4-DIHYDRO-5,8-DIHYDROXY-1,4-DIOXO-2-NAPHTHALENY
    2-Butenoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (+)-
    24502-79-2
    [1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 3-methylbut-2-enoate

Registries:
    PubChem CID 32465
    PubChem ID 174425