ChemSpider 2D Image | (4S,5Z,7R,10Z,13S)-4-Hydroxy-4-isopropyl-7-methoxy-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one | C21H32O4

(4S,5Z,7R,10Z,13S)-4-Hydroxy-4-isopropyl-7-methoxy-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one

  • Molecular FormulaC21H32O4
  • Average mass348.476 Da
  • Monoisotopic mass348.230072 Da
  • ChemSpider ID57641896

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S,5Z,7R,10Z,13S)-4-Hydroxy-4-isopropyl-7-methoxy-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-on [German] [ACD/IUPAC Name]
(4S,5Z,7R,10Z,13S)-4-Hydroxy-4-isopropyl-7-methoxy-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one [ACD/IUPAC Name]
(4S,5Z,7R,10Z,13S)-4-Hydroxy-4-isopropyl-7-méthoxy-7,11-diméthyl-14-oxabicyclo[11.2.1]hexadéca-1(16),5,10-trién-15-one [French] [ACD/IUPAC Name]
14-Oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one, 4-hydroxy-7-methoxy-7,11-dimethyl-4-(1-methylethyl)-, (4S,5Z,7R,10Z,13S)- [ACD/Index Name]
(-)-(1S*,4R*,10R*)-1-Hydroxy-4-methoxycembra-2E,7E,11Z-trien-20,10-olide
1346224-11-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 508.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.7±6.0 kJ/mol
Flash Point: 172.3±23.6 °C
Index of Refraction: 1.526
Molar Refractivity: 99.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 772.66
ACD/KOC (pH 5.5): 4062.78
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 772.66
ACD/KOC (pH 7.4): 4062.78
Polar Surface Area: 56 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 40.6±5.0 dyne/cm
Molar Volume: 324.4±5.0 cm3

Click to predict properties on the Chemicalize site


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