ChemSpider 2D Image | (1aR,2E,4aR,6R,7S,7aS,8E,10R,11aS)-4a-Acetoxy-7-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-10-yl (2E,4E)-2,4-octadienoate | C30H42O6

(1aR,2E,4aR,6R,7S,7aS,8E,10R,11aS)-4a-Acetoxy-7-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-10-yl (2E,4E)-2,4-octadienoate

  • Molecular FormulaC30H42O6
  • Average mass498.651 Da
  • Monoisotopic mass498.298126 Da
  • ChemSpider ID65061240

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1aR,2E,4aR,6R,7S,7aS,8E,10R,11aS)-4a-Acetoxy-7-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-10-yl (2E,4E)-2,4-octadienoate [ACD/IUPAC Name]
(1aR,2E,4aR,6R,7S,7aS,8E,10R,11aS)-4a-Acetoxy-7-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-10-yl-(2E,4E)-2,4-octadienoat [German] [ACD/IUPAC Name]
(2E,4E)-2,4-Octadiénoate de (1aR,2E,4aR,6R,7S,7aS,8E,10R,11aS)-4a-acétoxy-7-hydroxy-1,1,3,6,9-pentaméthyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-décahydro-1H-cyclopenta[a]cyclopropa[f][11]annulén-10-yle [French] [ACD/IUPAC Name]
2,4-Octadienoic acid, (1aR,2E,4aR,6R,7S,7aS,8E,10R,11aS)-4a-(acetyloxy)-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-7-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1H-cyclopenta[a]cyclopropa[f]cycloundecen-10-yl ester , (2E,4E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 589.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.0±6.0 kJ/mol
Flash Point: 182.6±23.6 °C
Index of Refraction: 1.545
Molar Refractivity: 139.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 6.03
ACD/BCF (pH 5.5): 22387.33
ACD/KOC (pH 5.5): 45218.62
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 22387.33
ACD/KOC (pH 7.4): 45218.62
Polar Surface Area: 90 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 440.2±5.0 cm3

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