ChemSpider 2D Image | (1S,4aR,5S,6R,11bS)-4a,6-Dihydroxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,11b-octahydrophenanthro[3,2-b]furan-1,5-diyl diacetate | C24H30O7

(1S,4aR,5S,6R,11bS)-4a,6-Dihydroxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,11b-octahydrophenanthro[3,2-b]furan-1,5-diyl diacetate

  • Molecular FormulaC24H30O7
  • Average mass430.491 Da
  • Monoisotopic mass430.199158 Da
  • ChemSpider ID30827959

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,4aR,5S,6R,11bS)-4a,6-Dihydroxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,11b-octahydrophenanthro[3,2-b]furan-1,5-diyl diacetate [ACD/IUPAC Name]
(1S,4aR,5S,6R,11bS)-4a,6-Dihydroxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,11b-octahydrophenanthro[3,2-b]furan-1,5-diyl-diacetat [German] [ACD/IUPAC Name]
Diacétate de (1S,4aR,5S,6R,11bS)-4a,6-dihydroxy-4,4,7,11b-tétraméthyl-1,2,3,4,4a,5,6,11b-octahydrophénanthro[3,2-b]furane-1,5-diyle [French] [ACD/IUPAC Name]
Phenanthro[3,2-b]furan-1,4a,5,6(2H)-tetrol, 1,3,4,5,6,11b-hexahydro-4,4,7,11b-tetramethyl-, 1,5-diacetate, (1S,4aR,5S,6R,11bS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 530.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 274.4±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 113.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 417.44
ACD/KOC (pH 5.5): 2614.72
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 417.44
ACD/KOC (pH 7.4): 2614.70
Polar Surface Area: 106 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 332.3±5.0 cm3

Click to predict properties on the Chemicalize site


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