ChemSpider 2D Image | 5-[(1R,4aS,7Z,11aR)-1-Acetoxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-2-methyl-1-pentene-3,5-diyl diacetate | C26H36O7

5-[(1R,4aS,7Z,11aR)-1-Acetoxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-2-methyl-1-pentene-3,5-diyl diacetate

  • Molecular FormulaC26H36O7
  • Average mass460.560 Da
  • Monoisotopic mass460.246094 Da
  • ChemSpider ID57641813

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 5 defined stereocentres

More details:

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

4-Pentene-1,3-diol, 1-[(1R,4aS,7Z,11aR)-1-(acetyloxy)-1,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylenecyclonona[c]pyran-4-yl]-4-methyl-, diacetate [ACD/Index Name]
5-[(1R,4aS,7Z,11aR)-1-Acetoxy-7-methyl-11-methylen-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-2-methyl-1-penten-3,5-diyl-diacetat [German] [ACD/IUPAC Name]
5-[(1R,4aS,7Z,11aR)-1-Acetoxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-2-methyl-1-pentene-3,5-diyl diacetate [ACD/IUPAC Name]
Diacétate de 5-[(1R,4aS,7Z,11aR)-1-acétoxy-7-méthyl-11-méthylène-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4-yl]-2-méthyl-1-pentène-3,5-diyle [French] [ACD/IUPAC Name]
172335-15-8 [RN]
zahavin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 544.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 230.2±30.2 °C
Index of Refraction: 1.515
Molar Refractivity: 124.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3692.10
ACD/KOC (pH 5.5): 12446.53
ACD/LogD (pH 7.4): 5.00
ACD/BCF (pH 7.4): 3692.10
ACD/KOC (pH 7.4): 12446.53
Polar Surface Area: 88 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 40.5±5.0 dyne/cm
Molar Volume: 411.5±5.0 cm3

Click to predict properties on the Chemicalize site


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