Fumarprotocetraric acid

CAS Registry Number®

489-50-9

CAS Name

Fumarprotocetraric acid

Molecular Formula

C22H16O12

Molecular Mass

472.36

Cite this Page

Fumarprotocetraric acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=489-50-9 (retrieved 2024-11-22) (CAS RN: 489-50-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    252-260 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H16O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h3-6,24,28H,7H2,1-2H3,(H,25,26)(H,29,30)/b4-3+

InChIKey

InChIKey=VEGGRTFDFMUBPD-ONEGZZNKSA-N

SMILES

CC1=C2C(=C(COC(/C=C/C(O)=O)=O)C(O)=C1C(O)=O)OC(=O)C=3C(O2)=C(C=O)C(O)=CC3C

Canonical SMILES

O=CC1=C(O)C=C(C=2C(=O)OC3=C(OC12)C(=C(C(=O)O)C(O)=C3COC(=O)C=CC(=O)O)C)C

Other Names for this Substance

  • 2-Butenedioic acid (2E)-, 1-[(7-carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-9-yl)methyl] ester
  • Fumaric acid, 9-monoester with 4-formyl-3,8-dihydroxy-9-(hydroxymethyl)-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
  • 2-Butenedioic acid (E)-, mono[(7-carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-9-yl)methyl] ester
  • Isophthalaldehydic acid, 2-[(3-carboxy-α5,4,6-trihydroxy-2,5-xylyl)oxy]-4-hydroxy-6-methyl-, ε-lactone, α5-(hydrogen fumarate)
  • Fumaroprotocetraric acid

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration