β,β-Dimethylacrylshikonin

CAS Registry Number®

24502-79-2

CAS Name

β,β-Dimethylacrylshikonin

Molecular Formula

C21H22O6

Molecular Mass

370.40

Cite this Page

β,β-Dimethylacrylshikonin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=24502-79-2 (retrieved 2024-11-22) (CAS RN: 24502-79-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=BATBOVZTQBLKIL-QGZVFWFLSA-N

SMILES

O=C1C=2C(C(=O)C=C1[C@H](OC(C=C(C)C)=O)CC=C(C)C)=C(O)C=CC2O

Canonical SMILES

O=C(OC(C1=CC(=O)C=2C(O)=CC=C(O)C2C1=O)CC=C(C)C)C=C(C)C

Other Names for this Substance

  • 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
  • β,β-Dimethylacrylshikonin
  • Shikonin β,β-dimethylacrylate

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration