Description
IUPAC Name: [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-hydroxy-3-methylbutanoate
InChI: InChI=1S/C21H24O7/c1-11(2)5-8-16(28-17(25)10-21(3,4)27)12-9-15(24)18-13(22)6-7-14(23)19(18)20(12)26/h5-7,9,16,22-23,27H,8,10H2,1-4H3
InChIKey: MXANJRGHSFELEJ-UHFFFAOYSA-N
Canonical SMILES: CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)CC(C)(C)O)C
Isomeric SMILES: CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)CC(C)(C)O)C
Synonyms: Alkannin-beta-hydroxyisovalerate; 7415-78-3; [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-hydroxy-3-methylbutanoate; 87798-74-1; NSC 373954; A-hydroxylsovalerylshikonin; MXANJRGHSFELEJ-UHFFFAOYSA-; Alkannin-.beta.-hydroxyisovalerate; …
Botanical Source: Arnebiae radix