ChemSpider 2D Image | (1S,3aS,4R,5aR,6S,8R,8bS)-1,8b-Dihydroxy-3a,5,5,8-tetramethyldecahydro-1H-cyclopenta[de]isochromene-4,6-diyl diacetate | C19H30O7

(1S,3aS,4R,5aR,6S,8R,8bS)-1,8b-Dihydroxy-3a,5,5,8-tetramethyldecahydro-1H-cyclopenta[de]isochromene-4,6-diyl diacetate

  • Molecular FormulaC19H30O7
  • Average mass370.437 Da
  • Monoisotopic mass370.199158 Da
  • ChemSpider ID110417458

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1S,3aS,4R,5aR,6S,8R,8bS)-1,8b-Dihydroxy-3a,5,5,8-tetramethyldecahydro-1H-cyclopenta[de]isochromen-4,6-diyl-diacetat [German] [ACD/IUPAC Name]
(1S,3aS,4R,5aR,6S,8R,8bS)-1,8b-Dihydroxy-3a,5,5,8-tetramethyldecahydro-1H-cyclopenta[de]isochromene-4,6-diyl diacetate [ACD/IUPAC Name]
8bH-Indeno[1,7-cd]pyran-1,4,6,8b-tetrol, decahydro-3a,5,5,8-tetramethyl-, 4,6-diacetate, (1S,3aS,4R,5aR,6S,8R,8bS)- [ACD/Index Name]
Diacétate de (1S,3aS,4R,5aR,6S,8R,8bS)-1,8b-dihydroxy-3a,5,5,8-tétraméthyldécahydro-1H-cyclopenta[de]isochromène-4,6-diyle [French] [ACD/IUPAC Name]
[(1R,3R,4S,7S,9R,11S,12S)-3-acetyloxy-7,12-dihydroxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodecan-11-yl] acetate
Compound NP-024213

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

Density: 1.2±0.1 g/cm3
Boiling Point: 459.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.1±6.0 kJ/mol
Flash Point: 154.6±22.2 °C
Index of Refraction: 1.535
Molar Refractivity: 92.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.64
ACD/KOC (pH 5.5): 104.43
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.64
ACD/KOC (pH 7.4): 104.43
Polar Surface Area: 102 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 296.7±5.0 cm3

Click to predict properties on the Chemicalize site


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