ChemSpider 2D Image | (5alpha,14beta,17beta)-17-[(2S,6S)-6-Methoxy-2,5,5-trimethyltetrahydro-2H-pyran-2-yl]-4,4,8,10,14-pentamethylgonan-3-one | C31H52O3

(5α,14β,17β)-17-[(2S,6S)-6-Methoxy-2,5,5-trimethyltetrahydro-2H-pyran-2-yl]-4,4,8,10,14-pentamethylgonan-3-one

  • Molecular FormulaC31H52O3
  • Average mass472.743 Da
  • Monoisotopic mass472.391632 Da
  • ChemSpider ID32795859

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5α,14β,17β)-17-[(2S,6S)-6-Methoxy-2,5,5-trimethyltetrahydro-2H-pyran-2-yl]-4,4,8,10,14-pentamethylgonan-3-on [German] [ACD/IUPAC Name]
(5α,14β,17β)-17-[(2S,6S)-6-Methoxy-2,5,5-trimethyltetrahydro-2H-pyran-2-yl]-4,4,8,10,14-pentamethylgonan-3-one [ACD/IUPAC Name]
(5α,14β,17β)-17-[(2S,6S)-6-Méthoxy-2,5,5-triméthyltétrahydro-2H-pyran-2-yl]-4,4,8,10,14-pentaméthylgonan-3-one [French] [ACD/IUPAC Name]
Gonan-3-one, 4,4,8,10,14-pentamethyl-17-[(2S,6S)-tetrahydro-6-methoxy-2,5,5-trimethyl-2H-pyran-2-yl]-, (5α,14β,17β)- [ACD/Index Name]
1020074-97-8 [RN]
20,???24-???Epoxy-???24-???methoxy-???23(24-???25)???abeo-???dammaran-???3-???one
20,24-Epoxy-24-methoxy-23(24-25)abeo-dammaran-3-one
26,27-Dinordammaran-3-one, 20,25-epoxy-25-methoxy-24,24-dimethyl-, (25S)-

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

Density: 1.0±0.1 g/cm3
Boiling Point: 519.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 260.5±12.4 °C
Index of Refraction: 1.521
Molar Refractivity: 138.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.21
ACD/LogD (pH 5.5): 7.68
ACD/BCF (pH 5.5): 407331.22
ACD/KOC (pH 5.5): 360722.53
ACD/LogD (pH 7.4): 7.68
ACD/BCF (pH 7.4): 407331.22
ACD/KOC (pH 7.4): 360722.53
Polar Surface Area: 36 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 38.8±5.0 dyne/cm
Molar Volume: 455.9±5.0 cm3

Click to predict properties on the Chemicalize site


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