ChemSpider 2D Image | isochromophilone B | C24H29ClO5

isochromophilone B

  • Molecular FormulaC24H29ClO5
  • Average mass432.937 Da
  • Monoisotopic mass432.170349 Da
  • ChemSpider ID65323282

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6R,6aR,9S,9aS)-9-Acetyl-5-chlor-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-6-methoxy-6a-methyl-6,6a,9,9a-tetrahydro-8H-furo[2,3-h]isochromen-8-on [German] [ACD/IUPAC Name]
(6R,6aR,9S,9aS)-9-Acetyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-6-methoxy-6a-methyl-6,6a,9,9a-tetrahydro-8H-furo[2,3-h]isochromen-8-one [ACD/IUPAC Name]
(6R,6aR,9S,9aS)-9-Acétyl-5-chloro-3-[(1E,3E,5S)-3,5-diméthyl-1,3-heptadién-1-yl]-6-méthoxy-6a-méthyl-6,6a,9,9a-tétrahydro-8H-furo[2,3-h]isochromén-8-one [French] [ACD/IUPAC Name]
8H-Furo[2,3-h]-2-benzopyran-8-one, 9-acetyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-6,6a,9,9a-tetrahydro-6-methoxy-6a-methyl-, (6R,6aR,9S,9aS)- [ACD/Index Name]
isochromophilone B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 603.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 206.3±30.5 °C
Index of Refraction: 1.559
Molar Refractivity: 115.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 345.94
ACD/KOC (pH 5.5): 2285.62
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 342.92
ACD/KOC (pH 7.4): 2265.69
Polar Surface Area: 62 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 358.0±5.0 cm3

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