Arnebin I

CAS Registry Number®

5162-01-6

CAS Name

Arnebin I

Molecular Formula

C21H22O6

Molecular Mass

370.40

Cite this Page

Arnebin I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5162-01-6 (retrieved 2024-11-21) (CAS RN: 5162-01-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    148-149 °C

Source(s)

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

InChIKey

InChIKey=BATBOVZTQBLKIL-UHFFFAOYSA-N

SMILES

O=C1C=2C(C(=O)C=C1C(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-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-penten-1-yl ester
  • Crotonic acid, 3-methyl-, ester with 5,8-dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone
  • 2-Butenoic acid, 3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester
  • Arnebin I
  • Arnebin 1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration