Found 18 results

Search term: ZEBMMHUDQRRILP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1alpha,4beta,7beta,9alpha,14beta,16alpha,17S)-20-Ethyl-1,8-dihydroxy-16-methoxy-4-(methoxymethyl)aconitan-14-yl acetate | C25H39NO6

(1α,4β,7β,9α,14β,16α,17S)-20-Ethyl-1,8-dihydroxy-16-methoxy-4-(methoxymethyl)aconitan-14-yl acetate

  • Molecular FormulaC25H39NO6
  • Average mass449.580 Da
  • Monoisotopic mass449.277740 Da
  • ChemSpider ID88297382

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1α,4β,7β,9α,14β,16α,17S)-20-Ethyl-1,8-dihydroxy-16-methoxy-4-(methoxymethyl)aconitan-14-yl acetate [ACD/IUPAC Name]
(1α,4β,7β,9α,14β,16α,17S)-20-Ethyl-1,8-dihydroxy-16-methoxy-4-(methoxymethyl)aconitan-14-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1α,4β,7β,9α,14β,16α,17S)-20-éthyl-1,8-dihydroxy-16-méthoxy-4-(méthoxyméthyl)aconitan-14-yle [French] [ACD/IUPAC Name]
Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-(methoxymethyl)-, 14-acetate, (1α,4β,7β,9α,14β,16α,17S)- [ACD/Index Name]
7633-69-4 [RN]
Coldephnine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 559.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.8±6.0 kJ/mol
Flash Point: 292.4±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 117.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.05
ACD/LogD (pH 5.5): -2.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.36
Polar Surface Area: 88 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 348.4±5.0 cm3

Click to predict properties on the Chemicalize site


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