Found 30 results

Search term: MF = 'C_{28}H_{44}O_{9}'
ChemSpider 2D Image | australin H | C28H44O9

australin H

  • Molecular FormulaC28H44O9
  • Average mass524.644 Da
  • Monoisotopic mass524.298523 Da
  • ChemSpider ID27024893

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R)-2-[(1R,2R,3R,6R,7R,10S,11R,14R)-14-(Butyryloxy)-6-hydroperoxy-10-hydroxy-6,10,14-trimethyl-8-oxo-15-oxatricyclo[9.3.1.02,7]pentadec-4-en-3-yl]propyl butyrate [ACD/IUPAC Name]
(2R)-2-[(1R,2R,3R,6R,7R,10S,11R,14R)-14-(Butyryloxy)-6-hydroperoxy-10-hydroxy-6,10,14-trimethyl-8-oxo-15-oxatricyclo[9.3.1.02,7]pentadec-4-en-3-yl]propylbutyrat [German] [ACD/IUPAC Name]
australin H
Butanoic acid, (1R,4R,4aR,5R,6R,9R,10S,12aR)-1,4,4a,5,6,7,8,9,10,11,12,12a-dodecahydro-1-hydroperoxy-10-hydroxy-1,6,10-trimethyl-4-[(1R)-1-methyl-2-(1-oxobutoxy)ethyl]-12-oxo-5,9-epoxybenzocyclodecen- 6-yl ester [ACD/Index Name]
Butyrate de (2R)-2-[(1R,2R,3R,6R,7R,10S,11R,14R)-14-(butyryloxy)-6-hydroperoxy-10-hydroxy-6,10,14-triméthyl-8-oxo-15-oxatricyclo[9.3.1.02,7]pentadéc-4-én-3-yl]propyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 626.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.3±6.0 kJ/mol
Flash Point: 196.8±25.0 °C
Index of Refraction: 1.532
Molar Refractivity: 135.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1015.91
ACD/KOC (pH 5.5): 4942.04
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1015.80
ACD/KOC (pH 7.4): 4941.51
Polar Surface Area: 129 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 437.9±5.0 cm3

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