ChemSpider 2D Image | (1S,3R,4aR,4bS,6aS,10aS,10bS,12aS)-3-[(2S)-2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl]-4b,7,7,10a-tetramethylhexadecahydro-1H-naphtho[2,1-f]isochromen-1-yl acetate | C27H40O6

(1S,3R,4aR,4bS,6aS,10aS,10bS,12aS)-3-[(2S)-2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl]-4b,7,7,10a-tetramethylhexadecahydro-1H-naphtho[2,1-f]isochromen-1-yl acetate

  • Molecular FormulaC27H40O6
  • Average mass460.603 Da
  • Monoisotopic mass460.282501 Da
  • ChemSpider ID57643112

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,3R,4aR,4bS,6aS,10aS,10bS,12aS)-3-[(2S)-2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl]-4b,7,7,10a-tetramethylhexadecahydro-1H-naphtho[2,1-f]isochromen-1-yl acetate [ACD/IUPAC Name]
(1S,3R,4aR,4bS,6aS,10aS,10bS,12aS)-3-[(2S)-2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl]-4b,7,7,10a-tetramethylhexadecahydro-1H-naphtho[2,1-f]isochromen-1-yl-acetat [German] [ACD/IUPAC Name]
2(5H)-Furanone, 4-[(1S,3R,4aR,4bS,6aS,10aS,10bS,12aS)-1-(acetyloxy)hexadecahydro-4b,7,7,10a-tetramethyl-1H-phenanthro[2,1-c]pyran-3-yl]-5-hydroxy-, (5S)- [ACD/Index Name]
Acétate de (1S,3R,4aR,4bS,6aS,10aS,10bS,12aS)-3-[(2S)-2-hydroxy-5-oxo-2,5-dihydro-3-furanyl]-4b,7,7,10a-tétraméthylhexadécahydro-1H-naphto[2,1-f]isochromén-1-yle [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: 593.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.5±6.0 kJ/mol
Flash Point: 192.8±23.6 °C
Index of Refraction: 1.555
Molar Refractivity: 123.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3035.63
ACD/KOC (pH 5.5): 10818.87
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 3022.92
ACD/KOC (pH 7.4): 10773.57
Polar Surface Area: 82 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 384.7±5.0 cm3

Click to predict properties on the Chemicalize site


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