ChemSpider 2D Image | Picrotoxin | C30H34O13

Picrotoxin

  • Molecular FormulaC30H34O13
  • Average mass602.583 Da
  • Monoisotopic mass602.199951 Da
  • ChemSpider ID16736444
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Picrotoxin [Wiki]
(1R,3R,5S,8S,9R,12S,13R,14R)-1-Hydroxy-13-méthyl-14-(1-propèn-2-yl)-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tétradécane-6,11-dione - (1R,3R,5S,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxy-2-propanyl)-13-méthyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tétradécane-6,11-dione (1:1)
(1R,3R,5S,8S,9R,12S,13R,14R)-1-Hydroxy-13-methyl-14-(prop-1-en-2-yl)-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione - (1R,3R,5S,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione (1:1)
(1R,3R,5S,8S,9R,12S,13R,14R)-1-Hydroxy-14-isopropenyl-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecan-6,11-dion --(1R,3R,5S,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxy-2-propa nyl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecan-6,11-dion (1:1) [German] [ACD/IUPAC Name]
(1R,3R,5S,8S,9R,12S,13R,14R)-1-Hydroxy-14-isopropenyl-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecan-6,11-dion--(1R,3R,5S,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxy-2-propanyl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecan-6,11-dion(1:1)
(1R,3R,5S,8S,9R,12S,13R,14R)-1-Hydroxy-14-isopropenyl-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione - (1R,3R,5S,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxy-2-pro panyl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione (1:1) [ACD/IUPAC Name]
(1R,3R,5S,8S,9R,12S,13R,14R)-1-Hydroxy-14-isopropényl-13-méthyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tétradécane-6,11-dione - (1R,3R,5S,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxy-2-pro panyl)-13-méthyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tétradécane-6,11-dione (1:1) [French] [ACD/IUPAC Name]
(1R,3R,5S,8S,9R,12S,13R,14R)-1-Hydroxy-14-isopropenyl-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione - (1R,3R,5S,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxy-2-propanyl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione (1:1)
124-87-8 [RN]
3,6-Methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-, (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-, compd. with (1aR,2aR,3S,6R,6aS,8aS,8bR ,9S)-hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-3,6-methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione (1:1) [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Caswell No. 663A [DBID]
HSDB 6385 [DBID]
AI3-17689 [DBID]
NSC 403139 [DBID]
  • Experimental Physico-chemical Properties
    • Experimental Solubility:

      Soluble to 50 mM in ethanol and to 100 mM in DMSO Tocris Bioscience 1128
      Soluble to 50 mM in ethanol with gentle warming and to 100 mM in DMSO Tocris Bioscience 1128
  • Miscellaneous
    • Chemical Class:

      GABA EU-OpenScreen [P 1675]
    • Bio Activity:

      GABAA receptor antagonist Tocris Bioscience 1128
      GABAA receptor antagonist; potent CNS stimulant. Tocris Bioscience 1128

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

No predicted properties have been calculated for this compound.

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