ChemSpider 2D Image | (1S,4aR,5S,6R,6aR,10aR,11aS,11bS)-4a,6-Dihydroxy-10a-methoxy-4,4,11b-trimethyl-7-methylene-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-1,5-diyl diacetate | C25H34O9

(1S,4aR,5S,6R,6aR,10aR,11aS,11bS)-4a,6-Dihydroxy-10a-methoxy-4,4,11b-trimethyl-7-methylene-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-1,5-diyl diacetate

  • Molecular FormulaC25H34O9
  • Average mass478.532 Da
  • Monoisotopic mass478.220276 Da
  • ChemSpider ID30827962

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,4aR,5S,6R,6aR,10aR,11aS,11bS)-4a,6-Dihydroxy-10a-methoxy-4,4,11b-trimethyl-7-methylen-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-1,5-diyl-diacetat [German] [ACD/IUPAC Name]
(1S,4aR,5S,6R,6aR,10aR,11aS,11bS)-4a,6-Dihydroxy-10a-methoxy-4,4,11b-trimethyl-7-methylene-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tetradecahydrophenanthro[3,2-b]furan-1,5-diyl diacetate [ACD/IUPAC Name]
Diacétate de (1S,4aR,5S,6R,6aR,10aR,11aS,11bS)-4a,6-dihydroxy-10a-méthoxy-4,4,11b-triméthyl-7-méthylène-9-oxo-1,2,3,4,4a,5,6,6a,7,9,10a,11,11a,11b-tétradécahydrophénanthro[3,2-b]furane-1,5-diyle [French] [ACD/IUPAC Name]
Phenanthro[3,2-b]furan-9(1H)-one, 1,5-bis(acetyloxy)-2,3,4,4a,5,6,6a,7,10a,11,11a,11b-dodecahydro-4a,6-dihydroxy-10a-methoxy-4,4,11b-trimethyl-7-methylene-, (1S,4aR,5S,6R,6aR,10aR,11aS,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: 602.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 198.2±25.0 °C
Index of Refraction: 1.565
Molar Refractivity: 119.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.24
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.45
ACD/KOC (pH 5.5): 101.32
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.45
ACD/KOC (pH 7.4): 101.32
Polar Surface Area: 129 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 365.6±5.0 cm3

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