Found 1 result

Search term: 29212346 (Found by CSID)
ChemSpider 2D Image | (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-Ethyl-6-methylene-2-octanyl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol | C30H50O

(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-Ethyl-6-methylene-2-octanyl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

  • Molecular FormulaC30H50O
  • Average mass426.717 Da
  • Monoisotopic mass426.386169 Da
  • ChemSpider ID29212346

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-Ethyl-6-methylen-2-octanyl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol [German] [ACD/IUPAC Name]
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-Ethyl-6-methylene-2-octanyl]-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol [ACD/IUPAC Name]
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-Éthyl-6-méthylène-2-octanyl]-10,13-diméthyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-3-ol [French] [ACD/IUPAC Name]
26-methylstigmasta-5,25(27)-dien-3β-ol
strongylosterol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 514.9±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.5±6.0 kJ/mol
Flash Point: 225.8±13.7 °C
Index of Refraction: 1.526
Molar Refractivity: 133.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 10.95
ACD/LogD (pH 5.5): 9.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3101749.50
ACD/LogD (pH 7.4): 9.40
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3101749.50
Polar Surface Area: 20 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 37.8±5.0 dyne/cm
Molar Volume: 435.0±5.0 cm3

Click to predict properties on the Chemicalize site


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