ChemSpider 2D Image | (1R,3S,3aS,5aS,6R,6aS,9R,9aR,10R,11aS,11bS,11cS)-9-(3-Furyl)-6-hydroxy-3a,6a,9a,11b-tetramethyl-1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11a,11b,11c-hexadecahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-1,3,10- triyl triacetate | C32H42O9

(1R,3S,3aS,5aS,6R,6aS,9R,9aR,10R,11aS,11bS,11cS)-9-(3-Furyl)-6-hydroxy-3a,6a,9a,11b-tetramethyl-1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11a,11b,11c-hexadecahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-1,3,10- triyl triacetate

  • Molecular FormulaC32H42O9
  • Average mass570.670 Da
  • Monoisotopic mass570.282898 Da
  • ChemSpider ID82964987

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,3S,3aS,5aS,6R,6aS,9R,9aR,10R,11aS,11bS,11cS)-9-(3-Furyl)-6-hydroxy-3a,6a,9a,11b-tetramethyl-1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11a,11b,11c-hexadecahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-1,3,10- triyl triacetate [ACD/IUPAC Name]
(1R,3S,3aS,5aS,6R,6aS,9R,9aR,10R,11aS,11bS,11cS)-9-(3-Furyl)-6-hydroxy-3a,6a,9a,11b-tetramethyl-1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11a,11b,11c-hexadecahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-1,3,10- triyl-triacetat [German] [ACD/IUPAC Name]
Cyclopenta[7,8]phenanthro[10,1-bc]furan-1,3,6,10-tetrol, 9-(3-furanyl)-1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11a,11b,11c-hexadecahydro-3a,6a,9a,11b-tetramethyl-, 1,3,10-triacetate, (1R,3S,3aS,5aS,6R,6aS,9R, 9aR,10R,11aS,11bS,11cS)- [ACD/Index Name]
Triacétate de (1R,3S,3aS,5aS,6R,6aS,9R,9aR,10R,11aS,11bS,11cS)-9-(3-furyl)-6-hydroxy-3a,6a,9a,11b-tétraméthyl-1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11a,11b,11c-hexadécahydrocyclopenta[7,8]phénanthro[10,1-bc ]furane-1,3,10-triyle [French] [ACD/IUPAC 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: 614.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 325.4±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 147.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 501.46
ACD/KOC (pH 5.5): 2981.49
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 501.46
ACD/KOC (pH 7.4): 2981.49
Polar Surface Area: 122 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 445.3±5.0 cm3

Click to predict properties on the Chemicalize site


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