ChemSpider 2D Image | 3-({(1R,2R,4aR,6R,8S,8aS)-2-[(2E)-2-Buten-2-yl]-4a,6,8-trimethyldecahydro-1-naphthalenyl}carbonyl)-5-hydroxy-5-(1H-indol-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one | C31H40N2O3

3-({(1R,2R,4aR,6R,8S,8aS)-2-[(2E)-2-Buten-2-yl]-4a,6,8-trimethyldecahydro-1-naphthalenyl}carbonyl)-5-hydroxy-5-(1H-indol-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC31H40N2O3
  • Average mass488.661 Da
  • Monoisotopic mass488.303894 Da
  • ChemSpider ID59650731

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

2H-Pyrrol-2-one, 3-[[(1R,2R,4aR,6R,8S,8aS)-decahydro-4a,6,8-trimethyl-2-[(1E)-1-methyl-1-propen-1-yl]-1-naphthalenyl]carbonyl]-1,5-dihydro-5-hydroxy-5-(1H-indol-3-ylmethyl)- [ACD/Index Name]
3-({(1R,2R,4aR,6R,8S,8aS)-2-[(2E)-2-Butén-2-yl]-4a,6,8-triméthyldécahydro-1-naphtalényl}carbonyl)-5-hydroxy-5-(1H-indol-3-ylméthyl)-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
3-({(1R,2R,4aR,6R,8S,8aS)-2-[(2E)-2-Buten-2-yl]-4a,6,8-trimethyldecahydro-1-naphthalenyl}carbonyl)-5-hydroxy-5-(1H-indol-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
3-({(1R,2R,4aR,6R,8S,8aS)-2-[(2E)-2-Buten-2-yl]-4a,6,8-trimethyldecahydro-1-naphthalinyl}carbonyl)-5-hydroxy-5-(1H-indol-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-on [German] [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: 717.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 387.5±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 143.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15636.05
ACD/KOC (pH 5.5): 34973.82
ACD/LogD (pH 7.4): 5.82
ACD/BCF (pH 7.4): 15633.37
ACD/KOC (pH 7.4): 34967.84
Polar Surface Area: 82 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 419.7±3.0 cm3

Click to predict properties on the Chemicalize site


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