Physodic acid

CAS Registry Number®

84-24-2

CAS Name

Physodic acid

Molecular Formula

C26H30O8

Molecular Mass

470.51

Cite this Page

Physodic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=84-24-2 (retrieved 2025-01-31) (CAS RN: 84-24-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    205 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31)

InChIKey

InChIKey=KVTYWHGIZSCFLG-UHFFFAOYSA-N

SMILES

C(CCCC)C1=C2C(OC(=O)C=3C(O2)=CC(O)=CC3CC(CCCCC)=O)=CC(O)=C1C(O)=O

Canonical SMILES

O=C(O)C1=C(O)C=C2OC(=O)C=3C(OC2=C1CCCCC)=CC(O)=CC3CC(=O)CCCCC

Other Names for this Substance

  • 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-
  • Physodic acid
  • 3,8-Dihydroxy-11-oxo-1-(2-oxoheptyl)-6-pentyl-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
  • Physodalin
  • NSC 685589

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