Found 1 result

Search term: 78436653 (Found by CSID)
ChemSpider 2D Image | (3beta,22S,24S,28R)-4,4,14-Trimethyl-22,28-epoxyergost-8-ene-3,28-diol | C31H52O3

(3β,22S,24S,28R)-4,4,14-Trimethyl-22,28-epoxyergost-8-ene-3,28-diol

  • Molecular FormulaC31H52O3
  • Average mass472.743 Da
  • Monoisotopic mass472.391632 Da
  • ChemSpider ID78436653

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3β,22S,24S,28R)-4,4,14-Trimethyl-22,28-epoxyergost-8-en-3,28-diol [German] [ACD/IUPAC Name]
(3β,22S,24S,28R)-4,4,14-Trimethyl-22,28-epoxyergost-8-ene-3,28-diol [ACD/IUPAC Name]
(3β,22S,24S,28R)-4,4,14-Triméthyl-22,28-époxyergost-8-ène-3,28-diol [French] [ACD/IUPAC Name]
Ergost-8-ene-3,28-diol, 22,28-epoxy-4,4,14-trimethyl-, (3β,22S,24S,28R)- [ACD/Index Name]
(22S, 24R)-24-methyllanosta-8-en-22,28-epoxy-3β,28α-diol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 558.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.6±6.0 kJ/mol
Flash Point: 291.4±30.1 °C
Index of Refraction: 1.544
Molar Refractivity: 139.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.96
ACD/LogD (pH 5.5): 7.47
ACD/BCF (pH 5.5): 277466.84
ACD/KOC (pH 5.5): 274046.78
ACD/LogD (pH 7.4): 7.47
ACD/BCF (pH 7.4): 277466.22
ACD/KOC (pH 7.4): 274046.19
Polar Surface Area: 50 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 441.7±5.0 cm3

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