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Substance Name: Limonin
RN: 1180-71-8
UNII: L0F260866S
InChIKey: KBDSLGBFQAGHBE-MSGMIQHVSA-N

Note

  • Responsible for the bitterness of CITRUS fruit products; has immunomodulatory activity.

Molecular Formula

  • C26-H30-O8

Molecular Weight

  • 470.515
 
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Names and Synonyms

Name of Substance

  • Limonin

Synonyms

  • 11H,13H-Oxireno(d)pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,6,13(2H,5aH)-trione, 8-(3-furyl)decahydro-2,2,4a,8a-tetramethyl-
  • 7,16-Dioxo-7,16-dideoxylimondiol
  • AI3-37932
  • CCRIS 4047
  • Citrolimonin
  • Dictamnolactone
  • Evodin
  • Limonin
  • Limonine
  • NSC 36508
  • Obaculactone
  • UNII-L0F260866S

Systematic Names

  • 11H,13H-Oxireno(d)pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,6,13(2H,5aH)-trione, 8-(3-furanyl)decahydro-2,2,4a,8a-tetramethyl-, (2aR,4aR,4bR,5aS,8S,8aS,10aR,10bR,14aS)-
  • 11H,13H-Oxireno(d)pyrano(4',3':3,3a)isobenzofuro(5,4-f)(2)benzopyran-4,6,13(2H,5aH)-trione, 8-(3-furanyl)decahydro-2,2,4a,8a-tetramethyl-, (2aR-(2aalpha,4abeta,4bR,5aalpha,8alpha,8aalpha,10aalpha,10bR*,14aalpha))-
  • Limonoic acid, di-delta-lactone

Registry Numbers

CAS Registry Number

  • 1180-71-8

FDA UNII

  • L0F260866S

Other Registry Number

  • 1392-24-1

System Generated Number

  • 0001180718

Structure Descriptors

InChI

1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1

InChIKey

KBDSLGBFQAGHBE-MSGMIQHVSA-N

Smiles

CC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]4CC[C@@]5(C)[C@@H](OC(=O)[C@H]6O[C@@]56[C@]4(C)C(=O)C[C@@H]13)c7cocc7

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 298 deg C   EXP
log P (octanol-water) 0.720 (none)   EST
Atmospheric OH Rate Constant 1.51E-10 cm3/molecule-sec 25 EST

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