ChemSpider 2D Image | 2-{2-(4,6-Dihydroxy-8a-methyl-1-oxo-1,4,4a,5,6,7,8,8a-octahydro-2-naphthalenyl)-1-methyl-5-[(3E)-6-methyl-3-hepten-2-yl]cyclopentyl}ethyl acetate | C29H46O5

2-{2-(4,6-Dihydroxy-8a-methyl-1-oxo-1,4,4a,5,6,7,8,8a-octahydro-2-naphthalenyl)-1-methyl-5-[(3E)-6-methyl-3-hepten-2-yl]cyclopentyl}ethyl acetate

  • Molecular FormulaC29H46O5
  • Average mass474.672 Da
  • Monoisotopic mass474.334534 Da
  • ChemSpider ID57499283

  • Double-bond stereo - Double-bond stereo

More details:

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

1(4H)-Naphthalenone, 2-[2-[2-(acetyloxy)ethyl]-3-[(2E)-1,5-dimethyl-2-hexen-1-yl]-2-methylcyclopentyl]-4a,5,6,7,8,8a-hexahydro-4,6-dihydroxy-8a-methyl- [ACD/Index Name]
2-{2-(4,6-Dihydroxy-8a-methyl-1-oxo-1,4,4a,5,6,7,8,8a-octahydro-2-naphthalenyl)-1-methyl-5-[(3E)-6-methyl-3-hepten-2-yl]cyclopentyl}ethyl acetate [ACD/IUPAC Name]
2-{2-(4,6-Dihydroxy-8a-methyl-1-oxo-1,4,4a,5,6,7,8,8a-octahydro-2-naphthalinyl)-1-methyl-5-[(3E)-6-methyl-3-hepten-2-yl]cyclopentyl}ethyl-acetat [German] [ACD/IUPAC Name]
Acétate de 2-{2-(4,6-dihydroxy-8a-méthyl-1-oxo-1,4,4a,5,6,7,8,8a-octahydro-2-naphtalényl)-1-méthyl-5-[(3E)-6-méthyl-3-heptén-2-yl]cyclopentyl}éthyle [French] [ACD/IUPAC Name]
24-NOR-9,11-SECO-11-ACETOXY-3,6-DIHYDROXYCHOLEST-7,22-DIEN-9-ONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 581.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 180.7±23.6 °C
Index of Refraction: 1.527
Molar Refractivity: 134.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.71
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6574.71
ACD/KOC (pH 5.5): 18811.67
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6574.70
ACD/KOC (pH 7.4): 18811.63
Polar Surface Area: 84 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 438.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement