Found 8 results

Search term: MF = 'C_{41}H_{60}O_{3}'
ChemSpider 2D Image | 4-{(1E)-3-[(3beta,9xi,10xi)-9,19-Cyclolanost-24-en-3-yloxy]-1,3-butadien-1-yl}-2-methoxyphenol | C41H60O3

4-{(1E)-3-[(3β,9ξ,10ξ)-9,19-Cyclolanost-24-en-3-yloxy]-1,3-butadien-1-yl}-2-methoxyphenol

  • Molecular FormulaC41H60O3
  • Average mass600.913 Da
  • Monoisotopic mass600.454224 Da
  • ChemSpider ID4977671

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 9 defined stereocentres

More details:

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

4-{(1E)-3-[(3β,9ξ,10ξ)-9,19-Cyclolanost-24-en-3-yloxy]-1,3-butadien-1-yl}-2-methoxyphenol [ACD/IUPAC Name]
4-{(1E)-3-[(3β,9ξ,10ξ)-9,19-Cyclolanost-24-en-3-yloxy]-1,3-butadien-1-yl}-2-methoxyphenol [German] [ACD/IUPAC Name]
4-{(1E)-3-[(3β,9ξ,10ξ)-9,19-Cyclolanost-24-én-3-yloxy]-1,3-butadién-1-yl}-2-méthoxyphénol [French] [ACD/IUPAC Name]
Phenol, 4-[(1E)-3-[(3β,9ξ,10ξ)-9,19-cyclolanost-24-en-3-yloxy]-1,3-butadien-1-yl]-2-methoxy- [ACD/Index Name]
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
cycloartenol ferulate

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

AIDS108666 [DBID]
AIDS-108666 [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: 683.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 367.4±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 182.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 13.14
ACD/LogD (pH 5.5): 12.06
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.05
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 39 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 559.1±5.0 cm3

Click to predict properties on the Chemicalize site


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