ChemSpider 2D Image | Methyl [(4R,4aR,6bS,7S,8S,9aS)-8-[(1R)-1-acetoxy-2-oxopropyl]-4-(3-furyl)-9a-hydroxy-4a,6b,8-trimethyl-2-oxo-2,4,4a,5,6,6b,7,8,9,9a-decahydrocyclopenta[4,5]furo[2,3-f]isochromen-7-yl]acetate | C29H34O10

Methyl [(4R,4aR,6bS,7S,8S,9aS)-8-[(1R)-1-acetoxy-2-oxopropyl]-4-(3-furyl)-9a-hydroxy-4a,6b,8-trimethyl-2-oxo-2,4,4a,5,6,6b,7,8,9,9a-decahydrocyclopenta[4,5]furo[2,3-f]isochromen-7-yl]acetate

  • Molecular FormulaC29H34O10
  • Average mass542.574 Da
  • Monoisotopic mass542.215210 Da
  • ChemSpider ID9470680

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

[(4R,4aR,6bS,7S,8S,9aS)-8-[(1R)-1-Acétoxy-2-oxopropyl]-4-(3-furyl)-9a-hydroxy-4a,6b,8-triméthyl-2-oxo-2,4,4a,5,6,6b,7,8,9,9a-décahydrocyclopenta[4,5]furo[2,3-f]isochromén-7-yl]acétate de méthyle [French] [ACD/IUPAC Name]
Cyclopenta[4,5]furo[2,3-f][2]benzopyran-7-acetic acid, 8-[(1R)-1-(acetyloxy)-2-oxopropyl]-4-(3-furanyl)-2,4,4a,5,6,6b,7,8,9,9a-decahydro-9a-hydroxy-4a,6b,8-trimethyl-2-oxo-, methyl ester, (4R,4aR,6bS, 7S,8S,9aS)- [ACD/Index Name]
Methyl [(4R,4aR,6bS,7S,8S,9aS)-8-[(1R)-1-acetoxy-2-oxopropyl]-4-(3-furyl)-9a-hydroxy-4a,6b,8-trimethyl-2-oxo-2,4,4a,5,6,6b,7,8,9,9a-decahydrocyclopenta[4,5]furo[2,3-f]isochromen-7-yl]acetate [ACD/IUPAC Name]
Methyl-[(4R,4aR,6bS,7S,8S,9aS)-8-[(1R)-1-acetoxy-2-oxopropyl]-4-(3-furyl)-9a-hydroxy-4a,6b,8-trimethyl-2-oxo-2,4,4a,5,6,6b,7,8,9,9a-decahydrocyclopenta[4,5]furo[2,3-f]isochromen-7-yl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 677.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 363.3±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 122.03
ACD/KOC (pH 5.5): 1084.20
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 122.03
ACD/KOC (pH 7.4): 1084.16
Polar Surface Area: 139 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 402.7±5.0 cm3

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