Ascofuranone

CAS Registry Number®

38462-04-3

CAS Name

Ascofuranone

Molecular Formula

C23H29ClO5

Molecular Mass

420.93

Cite this Page

Ascofuranone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38462-04-3 (retrieved 2024-11-22) (CAS RN: 38462-04-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    84 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H29ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18,27-28H,6-7,10-11H2,1-5H3/b13-9+,14-8+/t18-/m0/s1

InChIKey

InChIKey=VGYPZLGWVQQOST-JUERRSSISA-N

SMILES

C(/C=C(/CC/C=C(\C)/[C@@H]1CC(=O)C(C)(C)O1)\C)C2=C(O)C(C=O)=C(C)C(Cl)=C2O

Canonical SMILES

O=CC1=C(O)C(=C(O)C(Cl)=C1C)CC=C(C)CCC=C(C)C2OC(C(=O)C2)(C)C

Other Names for this Substance

  • Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3-methyl-7-[(2S)-tetrahydro-5,5-dimethyl-4-oxo-2-furanyl]-2,6-octadien-1-yl]-
  • Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-[3-methyl-7-(tetrahydro-5,5-dimethyl-4-oxo-2-furanyl)-2,6-octadienyl]-, [S-(E,E)]-
  • Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3-methyl-7-[(2S)-tetrahydro-5,5-dimethyl-4-oxo-2-furanyl]-2,6-octadienyl]-
  • 3-Chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3-methyl-7-[(2S)-tetrahydro-5,5-dimethyl-4-oxo-2-furanyl]-2,6-octadien-1-yl]benzaldehyde
  • Ascofuranone

Deleted or Replaced CAS Registry Numbers

51248-37-4

CAS INSIGHTSTM
Targeted protein degrader structure, illustration