ChemSpider 2D Image | auripyrone B | C33H50O7

auripyrone B

  • Molecular FormulaC33H50O7
  • Average mass558.746 Da
  • Monoisotopic mass558.355652 Da
  • ChemSpider ID27025990

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
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(2S)-2-Méthylbutanoate de (2S,3S,4R,5R,6S,11R)-8-[(2S)-2-butanyl]-2-[(1S)-1-(6-éthyl-3,5-diméthyl-4-oxo-4H-pyran-2-yl)éthyl]-3,5,9,11-tétraméthyl-10-oxo-1,7-dioxaspiro[5.5]undéc-8-én-4-yle [French] [ACD/IUPAC Name]
(2S,3S,4R,5R,6S,11R)-8-[(2S)-2-Butanyl]-2-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxo-4H-pyran-2-yl)ethyl]-3,5,9,11-tetramethyl-10-oxo-1,7-dioxaspiro[5.5]undec-8-en-4-yl (2S)-2-methylbutanoate [ACD/IUPAC Name]
(2S,3S,4R,5R,6S,11R)-8-[(2S)-2-Butanyl]-2-[(1S)-1-(6-ethyl-3,5-dimethyl-4-oxo-4H-pyran-2-yl)ethyl]-3,5,9,11-tetramethyl-10-oxo-1,7-dioxaspiro[5.5]undec-8-en-4-yl-(2S)-2-methylbutanoat [German] [ACD/IUPAC Name]
auripyrone B
179600-03-4 [RN]
Butanoic acid,2-methyl-,(2R,3R,4S,5S,6R,- 11S)-2-[(1R)-1-(6-ethyl-3,5-dimethyl-4- oxo-4H-pyran-2-yl)ethyl]-2,3,4,5-tetrahydro- 3,5,9,11-tetramethyl-8-[(1R)-1-methylpropyl]- 10-oxo-1,7-dioxaspiro[5.5]undec-8- en-4-yl ester,rel-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 634.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 261.1±31.5 °C
Index of Refraction: 1.517
Molar Refractivity: 154.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.35
ACD/LogD (pH 5.5): 7.17
ACD/BCF (pH 5.5): 165899.03
ACD/KOC (pH 5.5): 189644.92
ACD/LogD (pH 7.4): 7.17
ACD/BCF (pH 7.4): 165899.03
ACD/KOC (pH 7.4): 189644.92
Polar Surface Area: 88 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 509.9±5.0 cm3

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