ChemSpider 2D Image | (5S,5aR,5bR,7S,7aS,8S,10bR,11R,12aR)-8-(3-Furyl)-1,1,5a,7a,10b-pentamethyl-3-oxo-3,4,5,5a,5b,6,7,7a,8,9,10b,11,12,12a-tetradecahydro-1H-cyclopenta[5,6]naphtho[2,1-c]oxepine-5,7,11-triyl triacetate | C32H42O9

(5S,5aR,5bR,7S,7aS,8S,10bR,11R,12aR)-8-(3-Furyl)-1,1,5a,7a,10b-pentamethyl-3-oxo-3,4,5,5a,5b,6,7,7a,8,9,10b,11,12,12a-tetradecahydro-1H-cyclopenta[5,6]naphtho[2,1-c]oxepine-5,7,11-triyl triacetate

  • Molecular FormulaC32H42O9
  • Average mass570.670 Da
  • Monoisotopic mass570.282898 Da
  • ChemSpider ID31123458

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5S,5aR,5bR,7S,7aS,8S,10bR,11R,12aR)-8-(3-Furyl)-1,1,5a,7a,10b-pentamethyl-3-oxo-3,4,5,5a,5b,6,7,7a,8,9,10b,11,12,12a-tetradecahydro-1H-cyclopenta[5,6]naphtho[2,1-c]oxepin-5,7,11-triyl-triacetat [German] [ACD/IUPAC Name]
(5S,5aR,5bR,7S,7aS,8S,10bR,11R,12aR)-8-(3-Furyl)-1,1,5a,7a,10b-pentamethyl-3-oxo-3,4,5,5a,5b,6,7,7a,8,9,10b,11,12,12a-tetradecahydro-1H-cyclopenta[5,6]naphtho[2,1-c]oxepine-5,7,11-triyl triacetate [ACD/IUPAC Name]
3H-Cyclopenta[5,6]naphth[2,1-c]oxepin-3-one, 5,7,11-tris(acetyloxy)-8-(3-furanyl)-1,4,5,5a,5b,6,7,7a,8,9,10b,11,12,12a-tetradecahydro-1,1,5a,7a,10b-pentamethyl-, (5S,5aR,5bR,7S,7aS,8S,10bR,11R,12aR)- [ACD/Index Name]
Triacétate de (5S,5aR,5bR,7S,7aS,8S,10bR,11R,12aR)-8-(3-furyl)-1,1,5a,7a,10b-pentaméthyl-3-oxo-3,4,5,5a,5b,6,7,7a,8,9,10b,11,12,12a-tétradécahydro-1H-cyclopenta[5,6]naphto[2,1-c]oxépine-5,7,11-triyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 617.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 327.2±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 147.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3245.60
ACD/KOC (pH 5.5): 11349.57
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3245.60
ACD/KOC (pH 7.4): 11349.57
Polar Surface Area: 118 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 462.4±5.0 cm3

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