ChemSpider 2D Image | Euphornin C | C31H40O8

Euphornin C

  • Molecular FormulaC31H40O8
  • Average mass540.644 Da
  • Monoisotopic mass540.272339 Da
  • ChemSpider ID10397010

  • 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

(1S,2S,3aR,4S,5S,6E,9R,12E,13aS)-4,9-Diacetoxy-3a-hydroxy-2,5,8,8,12-pentamethyl-11-oxo-2,3,3a,4,5,8,9,10,11,13a-decahydro-1H-cyclopenta[12]annulen-1-yl benzoate [ACD/IUPAC Name]
(1S,2S,3aR,4S,5S,6E,9R,12E,13aS)-4,9-Diacetoxy-3a-hydroxy-2,5,8,8,12-pentamethyl-11-oxo-2,3,3a,4,5,8,9,10,11,13a-decahydro-1H-cyclopenta[12]annulen-1-yl-benzoat [German] [ACD/IUPAC Name]
6H-Cyclopentacyclododecen-6-one, 8,13-bis(acetyloxy)-3-(benzoyloxy)-1,2,3,3a,7,8,9,12,13,13a-decahydro-13a-hydroxy-2,5,9,9,12-pentamethyl-, (2S,3S,3aS,4E,8R,10E,12S,13S,13aR)- [ACD/Index Name]
Benzoate de (1S,2S,3aR,4S,5S,6E,9R,12E,13aS)-4,9-diacétoxy-3a-hydroxy-2,5,8,8,12-pentaméthyl-11-oxo-2,3,3a,4,5,8,9,10,11,13a-décahydro-1H-cyclopenta[12]annulén-1-yle [French] [ACD/IUPAC Name]
Euphornin C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 619.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 191.1±25.0 °C
Index of Refraction: 1.554
Molar Refractivity: 145.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9473.84
ACD/KOC (pH 5.5): 24433.58
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9473.82
ACD/KOC (pH 7.4): 24433.53
Polar Surface Area: 116 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 453.1±5.0 cm3

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