ChemSpider 2D Image | (1S,4S,5S,6R,9S,10R,12R,14R)-4,5,6-Trihydroxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.0~1,5~.0~10,12~]pentadeca-2,7-dien-15-one | C20H28O4

(1S,4S,5S,6R,9S,10R,12R,14R)-4,5,6-Trihydroxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-15-one

  • Molecular FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID35308418

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,4S,5S,6R,9S,10R,12R,14R)-4,5,6-Trihydroxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-15-on [German] [ACD/IUPAC Name]
(1S,4S,5S,6R,9S,10R,12R,14R)-4,5,6-Trihydroxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-15-one [ACD/IUPAC Name]
(1S,4S,5S,6R,9S,10R,12R,14R)-4,5,6-Trihydroxy-3,7,11,11,14-pentaméthyltétracyclo[7.5.1.01,5.010,12]pentadéca-2,7-dién-15-one [French] [ACD/IUPAC Name]
1H-2,8a-Methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one, 1a,2,5,5a,6,9,10,10a-octahydro-5,5a,6-trihydroxy-1,1,4,7,9-pentamethyl-, (1aR,2S,5R,5aS,6S,8aS,9R,10aR)- [ACD/Index Name]
54706-99-9 [RN]
(S)-3-hydroxybutanoic acid
20-Deoxyingenol
MFCD30207875

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

Density: 1.3±0.1 g/cm3
Boiling Point: 470.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.5±6.0 kJ/mol
Flash Point: 252.4±25.2 °C
Index of Refraction: 1.605
Molar Refractivity: 90.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 268.13
ACD/KOC (pH 5.5): 1904.65
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 268.12
ACD/KOC (pH 7.4): 1904.61
Polar Surface Area: 78 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 262.7±5.0 cm3

Click to predict properties on the Chemicalize site


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