ChemSpider 2D Image | (3beta,8alpha,9beta,10alpha,13alpha,14beta,16S,17beta,20R,22S,25S)-Spirost-5-en-3-yl butyrate | C31H48O4

(3β,8α,9β,10α,13α,14β,16S,17β,20R,22S,25S)-Spirost-5-en-3-yl butyrate

  • Molecular FormulaC31H48O4
  • Average mass484.710 Da
  • Monoisotopic mass484.355255 Da
  • ChemSpider ID113598194

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,8α,9β,10α,13α,14β,16S,17β,20R,22S,25S)-Spirost-5-en-3-yl butyrate [ACD/IUPAC Name]
(3β,8α,9β,10α,13α,14β,16S,17β,20R,22S,25S)-Spirost-5-en-3-ylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, (3β,8α,9β,10α,13α,14β,16S,17β,20β,22S,25S)-spirost-5-en-3-yl ester [ACD/Index Name]
Butyrate de (3β,8α,9β,10α,13α,14β,16S,17β,20R,22S,25S)-spirost-5-én-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 558.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 233.5±30.2 °C
Index of Refraction: 1.545
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 7.35
ACD/BCF (pH 5.5): 225384.91
ACD/KOC (pH 5.5): 236155.73
ACD/LogD (pH 7.4): 7.35
ACD/BCF (pH 7.4): 225384.91
ACD/KOC (pH 7.4): 236155.73
Polar Surface Area: 45 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 436.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement