ChemSpider 2D Image | (3beta,8xi,9beta)-24-Methylene-9,19-cyclolanostan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate | C41H60O4

(3β,8ξ,9β)-24-Methylene-9,19-cyclolanostan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

  • Molecular FormulaC41H60O4
  • Average mass616.913 Da
  • Monoisotopic mass616.449158 Da
  • ChemSpider ID4977056

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(2E)-3-(4-Hydroxy-3-méthoxyphényl)acrylate de (3β,8ξ,9β)-24-méthylène-9,19-cyclolanostan-3-yle [French] [ACD/IUPAC Name]
(3β,8ξ,9β)-24-Methylen-9,19-cyclolanostan-3-yl-(2E)-3-(4-hydroxy-3-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]
(3β,8ξ,9β)-24-Methylene-9,19-cyclolanostan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (3β,8ξ,9β)-24-methylene-9,19-cyclolanostan-3-yl ester, (2E)- [ACD/Index Name]
24-Methylcyloart-24(24 1)-en-3 β-ol ferulate
4-{(E)-3-[(3S,5R,8S,13R,14S,17R)-17-((R)-1,5-Dimethyl-hex-4-enyl)-4,4,13,14-tetramethyl-tetradecahydro-cyclopropa[9,10]cyclopenta[a]phenanthren-3-yloxy]-buta-1,3-dienyl}-2-methoxy-phenol

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

AIDS076643 [DBID]
AIDS-076643 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 668.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 193.5±20.8 °C
Index of Refraction: 1.564
Molar Refractivity: 183.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 13.20
ACD/LogD (pH 5.5): 11.46
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.46
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 56 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 563.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement