ChemSpider 2D Image | 3-(6,6-Dimethyltetrahydro-2H-pyran-2-yl)-3a-hydroxy-13-methoxy-5a,8,8,11a-tetramethyl-1-oxo-3a,4,5,5a,7,7a,8,9,10,11,11a,13-dodecahydro-3H-naphtho[2',1':4,5]indeno[1,7a-c]furan-9-yl acetate | C33H48O7

3-(6,6-Dimethyltetrahydro-2H-pyran-2-yl)-3a-hydroxy-13-methoxy-5a,8,8,11a-tetramethyl-1-oxo-3a,4,5,5a,7,7a,8,9,10,11,11a,13-dodecahydro-3H-naphtho[2',1':4,5]indeno[1,7a-c]furan-9-yl acetate

  • Molecular FormulaC33H48O7
  • Average mass556.730 Da
  • Monoisotopic mass556.340027 Da
  • ChemSpider ID471490

More details:

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

1H,3H-Naphth[2',1':4,5]indeno[1,7a-c]furan-1-one, 9-(acetyloxy)-3a,4,5,5a,7,7a,8,9,10,11,11a,13-dodecahydro-3a-hydroxy-13-methoxy-5a,8,8,11a-tetramethyl-3-(tetrahydro-6,6-dimethyl-2H-pyran-2-yl)- [ACD/Index Name]
3-(6,6-Dimethyltetrahydro-2H-pyran-2-yl)-3a-hydroxy-13-methoxy-5a,8,8,11a-tetramethyl-1-oxo-3a,4,5,5a,7,7a,8,9,10,11,11a,13-dodecahydro-3H-naphtho[2',1':4,5]indeno[1,7a-c]furan-9-yl acetate [ACD/IUPAC Name]
3-(6,6-Dimethyltetrahydro-2H-pyran-2-yl)-3a-hydroxy-13-methoxy-5a,8,8,11a-tetramethyl-1-oxo-3a,4,5,5a,7,7a,8,9,10,11,11a,13-dodecahydro-3H-naphtho[2',1':4,5]indeno[1,7a-c]furan-9-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-(6,6-diméthyltétrahydro-2H-pyran-2-yl)-3a-hydroxy-13-méthoxy-5a,8,8,11a-tétraméthyl-1-oxo-3a,4,5,5a,7,7a,8,9,10,11,11a,13-dodécahydro-3H-naphto[2',1':4,5]indéno[1,7a-c]furan-9-yle [French] [ACD/IUPAC Name]
Holothurin acetate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 672.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±6.0 kJ/mol
Flash Point: 209.6±25.0 °C
Index of Refraction: 1.566
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 10678.02
ACD/KOC (pH 5.5): 26618.42
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 10677.92
ACD/KOC (pH 7.4): 26618.19
Polar Surface Area: 91 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 461.5±5.0 cm3

Click to predict properties on the Chemicalize site


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