ChemSpider 2D Image | Delsoline | C25H41NO7

Delsoline

  • Molecular FormulaC25H41NO7
  • Average mass467.595 Da
  • Monoisotopic mass467.288300 Da
  • ChemSpider ID28941587
  • defined stereocentres - 12 of 13 defined stereocentres


More details:






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

(1α,6β,10ξ,11β,14α,16β,17R)-20-Ethyl-6,14,16-trimethoxy-4-(methoxymethyl)aconitan-1,7,8-triol [German] [ACD/IUPAC Name]
(1α,6β,10ξ,11β,14α,16β,17R)-20-Ethyl-6,14,16-trimethoxy-4-(methoxymethyl)aconitane-1,7,8-triol [ACD/IUPAC Name]
(1α,6β,10ξ,11β,14α,16β,17R)-20-Éthyl-6,14,16-triméthoxy-4-(méthoxyméthyl)aconitane-1,7,8-triol [French] [ACD/IUPAC Name]
Aconitane-1,7,8-triol, 20-ethyl-6,14,16-trimethoxy-4-(methoxymethyl)-, (1α,6β,10ξ,11β,14α,16β,17R)- [ACD/Index Name]
Delsoline
10.1021/jm9604991

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 576.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.1±6.0 kJ/mol
Flash Point: 302.1±30.1 °C
Index of Refraction: 1.596
Molar Refractivity: 120.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.27
ACD/LogD (pH 5.5): -0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.55
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.18
ACD/KOC (pH 7.4): 58.54
Polar Surface Area: 101 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 355.3±5.0 cm3

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