ChemSpider 2D Image | Methyl (4R)-4-[(3R,3aR,6S,9S,9bR)-9-hydroxy-7-isopropenyl-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]pentanoate | C29H44O6

Methyl (4R)-4-[(3R,3aR,6S,9S,9bR)-9-hydroxy-7-isopropenyl-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]pentanoate

  • Molecular FormulaC29H44O6
  • Average mass488.656 Da
  • Monoisotopic mass488.313782 Da
  • ChemSpider ID78441348

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(4R)-4-[(3R,3aR,6S,9S,9bR)-9-Hydroxy-7-isopropényl-6-(3-méthoxy-3-oxopropyl)-3a,6,9b-triméthyl-5-oxo-2,3,3a,4,5,6,7,8,9,9b-décahydro-1H-cyclopenta[a]naphtalén-3-yl]pentanoate de méthyle [French] [ACD/IUPAC Name]
1H-Benz[e]indene-3-butanoic acid, 2,3,3a,4,5,6,7,8,9,9b-decahydro-9-hydroxy-6-(3-methoxy-3-oxopropyl)-γ,3a,6,9b-tetramethyl-7-(1-methylethenyl)-5-oxo-, methyl ester, (γR,3R,3aR,6S,9S,9bR)- [ACD/Index Name]
Methyl (4R)-4-[(3R,3aR,6S,9S,9bR)-9-hydroxy-7-isopropenyl-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]pentanoate [ACD/IUPAC Name]
Methyl-(4R)-4-[(3R,3aR,6S,9S,9bR)-9-hydroxy-7-isopropenyl-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-5-oxo-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalin-3-yl]pentanoat [German] [ACD/IUPAC Name]
Fornicatin F

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

Density: 1.1±0.1 g/cm3
Boiling Point: 572.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 176.6±23.6 °C
Index of Refraction: 1.526
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5626.60
ACD/KOC (pH 5.5): 16827.46
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5626.60
ACD/KOC (pH 7.4): 16827.46
Polar Surface Area: 90 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 438.4±5.0 cm3

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