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Search term: 58837730 (Found by CSID)
ChemSpider 2D Image | (3beta,22S)-Stigmast-5-ene-3,22-diol | C29H50O2

(3β,22S)-Stigmast-5-ene-3,22-diol

  • Molecular FormulaC29H50O2
  • Average mass430.706 Da
  • Monoisotopic mass430.381073 Da
  • ChemSpider ID58837730

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β,22S)-Stigmast-5-en-3,22-diol [German] [ACD/IUPAC Name]
(3β,22S)-Stigmast-5-ene-3,22-diol [ACD/IUPAC Name]
(3β,22S)-Stigmast-5-ène-3,22-diol [French] [ACD/IUPAC Name]
Stigmast-5-ene-3,22-diol, (3β,22S)- [ACD/Index Name]
(1R,3aS,3bS,7S,9aR,9bS,11aS)-1-[(2S,3S,5R)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthren-7-ol
(22&α;)-hydroxy-sitosterol
(22S)-22-hydroxysitosterol
(22S)-hydroxysitosterol
(22S)-stigmast-5-ene-3β,22-diol
22-OH-SIT
More...
  • Miscellaneous

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

Density: 1.0±0.1 g/cm3
Boiling Point: 532.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.0±6.0 kJ/mol
Flash Point: 217.1±17.2 °C
Index of Refraction: 1.531
Molar Refractivity: 130.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.54
ACD/LogD (pH 5.5): 7.60
ACD/BCF (pH 5.5): 351392.97
ACD/KOC (pH 5.5): 324527.81
ACD/LogD (pH 7.4): 7.60
ACD/BCF (pH 7.4): 351392.97
ACD/KOC (pH 7.4): 324527.81
Polar Surface Area: 40 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 40.6±5.0 dyne/cm
Molar Volume: 422.2±5.0 cm3

Click to predict properties on the Chemicalize site


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