ChemSpider 2D Image | Stigmasta-5,22,25-trien-3-ol, 3-acetate, (3β,22E,24S)- | C31H48O2

Stigmasta-5,22,25-trien-3-ol, 3-acetate, (3β,22E,24S)-

  • Molecular FormulaC31H48O2
  • Average mass452.712 Da
  • Monoisotopic mass452.365417 Da
  • ChemSpider ID28424256

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,20R,22E,24S)-Stigmasta-5,22,25-trien-3-yl acetate [ACD/IUPAC Name]
(3β,20R,22E,24S)-Stigmasta-5,22,25-trien-3-yl-acetat [German] [ACD/IUPAC Name]
28594-00-5 [RN]
Acétate de (3β,20R,22E,24S)-stigmasta-5,22,25-trién-3-yle [French] [ACD/IUPAC Name]
Stigmasta-5,22,25-trien-3-ol, 3-acetate, (3β,22E,24S)-
Stigmasta-5,22,25-trien-3-ol, acetate, (3β,20R,22E,24S)- [ACD/Index Name]
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,3E,5S)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
22-Dehydroclerosteryl 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: 517.4±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 263.9±11.8 °C
Index of Refraction: 1.527
Molar Refractivity: 138.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 10.76
ACD/LogD (pH 5.5): 9.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3415767.25
ACD/LogD (pH 7.4): 9.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3415767.25
Polar Surface Area: 26 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 37.7±5.0 dyne/cm
Molar Volume: 449.9±5.0 cm3

Click to predict properties on the Chemicalize site


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