ChemSpider 2D Image | (2E,5S,6R,7S,9R,10E,12E,15R,16E,18E)-17-Ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8-oxo-2,10,12,16,18-nonadecapentaenoic acid | C33H48O6

(2E,5S,6R,7S,9R,10E,12E,15R,16E,18E)-17-Ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8-oxo-2,10,12,16,18-nonadecapentaenoic acid

  • Molecular FormulaC33H48O6
  • Average mass540.731 Da
  • Monoisotopic mass540.345093 Da
  • ChemSpider ID21106330
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(2E,5S,6R,7S,9R,10E,12E,15R,16E,18E)-17-Ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8-oxo-2,10,12,16,18-nonadecapentaenoic acid [ACD/IUPAC Name]
(2E,5S,6R,7S,9R,10E,12E,15R,16E,18E)-17-Ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-19-[(2S,3S)-3-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8-oxo-2,10,12,16,18-nonadecapentaensäure [German] [ACD/IUPAC Name]
2,10,12,16,18-Nonadecapentaenoic acid, 19-[(2S,3S)-3,6-dihydro-3-methyl-6-oxo-2H-pyran-2-yl]-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-, (2E,5S,6R,7S,9R,10E,12E,15R,16E,18E)- [ACD/Index Name]
Acide (2E,5S,6R,7S,9R,10E,12E,15R,16E,18E)-17-éthyl-6-hydroxy-3,5,7,9,11,15-hexaméthyl-19-[(2S,3S)-3-méthyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-8-oxo-2,10,12,16,18-nonadécapentaénoïque [French] [ACD/IUPAC Name]
(2E,5S,6R,7S,9R,10E,12E,15R,16Z,18E)-19-[(2S,3S)-3,6-Dihydro-3-methyl-6-oxo-2H-pyran-2-yl]-17-ethyl-6-hydroxy-3,5,7,9,11,15-hexamethyl-8-oxo-2,10,12,16,18-nonadecapentaenoic acid
[87081-35-4]
87081-35-4 [RN]
CAY 10415 | MSDC 0160 |
CI 940 | LMB |
Ethanol [ACD/Index Name] [ACD/IUPAC Name] [JP15] [Wiki]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CI 940 [DBID]
  • Experimental Physico-chemical Properties
    • Experimental Solubility:

      Soluble in ethanol (supplied pre-dissolved in anhydrous ethanol, 27?g/ml) Tocris Bioscience 1987
      Soluble in ethanol (supplied pre-dissolved in anhydrous ethanol, 27µg/ml) Tocris Bioscience 1987
      Soluble in ethanol (supplied pre-dissolved in anhydrous ethanol, 27µg/ml) Tocris Bioscience 1987
  • Miscellaneous
    • Bio Activity:

      Antifungal antibiotic that is an inhibitor of the nuclear export of proteins; acts by binding directly to and inhibiting CRM1/exportin-1. Inhibits the nuclear export of the HIV regulatory protein Rev and stabilizes p53. Antitumor in vitro and in vivo. Tocris Bioscience 1987
      Antifungal antibiotic that is an inhibitor of the nuclear export of proteins; acts by binding directly to and inhibiting CRM1/exportin-1. Inhibits the nuclear export of the HIV regulatory protein Rev and stabilizes p53. Antitumor in vitro and in vivo. Tocris Bioscience 1987
      Cell Biology Tocris Bioscience 1987
      Inhibits nuclear export of proteins; antitumor Tocris Bioscience 1987
      Signal Transduction Tocris Bioscience 1987
      Translocation, Exocytosis & Endocytosis Tocris Bioscience 1987

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

Density: 1.1±0.1 g/cm3
Boiling Point: 725.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 121.0±6.0 kJ/mol
Flash Point: 224.8±26.4 °C
Index of Refraction: 1.542
Molar Refractivity: 158.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 2803.69
ACD/KOC (pH 5.5): 7055.18
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 50.01
ACD/KOC (pH 7.4): 125.86
Polar Surface Area: 101 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 504.3±3.0 cm3

Click to predict properties on the Chemicalize site





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