Beta,beta-Dimethylacrylshikonin

C₂₁H₂₂O₆CAS 24502-79-2370.40 g/mol

Open in Covalent MOL file

Properties

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

CAS number

24502-79-2

SMILES

CC(C)=CC[C@@H](OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O

InChIKey

BATBOVZTQBLKIL-QGZVFWFLSA-N

InChI

InChI=1S/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/t17-/m1/s1

Type any one amount. The others follow from the molar mass.

7 names

β,β-Dimethylacrylshikonin
2-Butenoic acid, 3-methyl-, (1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-penten-1-yl 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-, (1R)-1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester
Shikonin β,β-dimethylacrylate
Isoarnebin I
[(1R)-1-(5,8-Dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds