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Substance Name: Physodic acid
RN: 84-24-2
UNII: X901BNT6BF
InChIKey: KVTYWHGIZSCFLG-UHFFFAOYSA-N

Note

  • Lichen constituent.

Molecular Formula

  • C26-H30-O8

Molecular Weight

  • 470.515
 
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Names and Synonyms

Name of Substance

  • Physodic acid

Synonyms

  • CCRIS 5524
  • NSC 5916
  • Physodalin
  • Physodic acid
  • UNII-X901BNT6BF

Systematic Names

  • 11H-Dibenzo(b,e)(1,4)dioxepin-7-carboxylic acid, 3,8-dihydroxy-11-oxo-1-(2-oxoheptyl)-6-pentyl- (8CI)(9CI)
  • Physodic acid

Registry Numbers

CAS Registry Number

  • 84-24-2

FDA UNII

  • X901BNT6BF

System Generated Number

  • 0000084242

Structure Descriptors

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

KVTYWHGIZSCFLG-UHFFFAOYSA-N

Smiles

O1c2cc(c(C(=O)O)c(CCCCC)c2Oc2c(c(CC(CCCCC)=O)cc(O)c2)C1=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 205 deg C   EXP
log P (octanol-water) 5.900 (none)   EST
Atmospheric OH Rate Constant 2.15E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.