ChemSpider 2D Image | (3beta,5alpha,24S)-Stigmasta-7,22-dien-3-yl acetate | C31H50O2

(3β,5α,24S)-Stigmasta-7,22-dien-3-yl acetate

  • Molecular FormulaC31H50O2
  • Average mass454.728 Da
  • Monoisotopic mass454.381073 Da
  • ChemSpider ID57576703

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5α,24S)-Stigmasta-7,22-dien-3-yl acetate [ACD/IUPAC Name]
(3β,5α,24S)-Stigmasta-7,22-dien-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5α,24S)-stigmasta-7,22-dién-3-yle [French] [ACD/IUPAC Name]
Stigmasta-7,22-dien-3-ol, acetate, (3β,5α,24S)- [ACD/Index Name]
4651-46-1 [RN]
α-SPINASTEROL ACETATE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 513.6±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 261.5±17.4 °C
Index of Refraction: 1.521
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 11.07
ACD/LogD (pH 5.5): 9.83
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5331642.00
ACD/LogD (pH 7.4): 9.83
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5331642.00
Polar Surface Area: 26 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 37.5±5.0 dyne/cm
Molar Volume: 455.4±5.0 cm3

Click to predict properties on the Chemicalize site


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