ChemSpider 2D Image | (1S,4bS,5R,8R,10S,10aR,12aR)-1-(3-Furyl)-8,10-dihydroxy-4b,7,7,10a,12a-pentamethyl-3-oxo-3,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]isochromen-5-yl acetate | C28H38O7

(1S,4bS,5R,8R,10S,10aR,12aR)-1-(3-Furyl)-8,10-dihydroxy-4b,7,7,10a,12a-pentamethyl-3-oxo-3,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]isochromen-5-yl acetate

  • Molecular FormulaC28H38O7
  • Average mass486.597 Da
  • Monoisotopic mass486.261749 Da
  • ChemSpider ID30841597

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(1S,4bS,5R,8R,10S,10aR,12aR)-1-(3-Furyl)-8,10-dihydroxy-4b,7,7,10a,12a-pentamethyl-3-oxo-3,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]isochromen-5-yl acetate [ACD/IUPAC Name]
(1S,4bS,5R,8R,10S,10aR,12aR)-1-(3-Furyl)-8,10-dihydroxy-4b,7,7,10a,12a-pentamethyl-3-oxo-3,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-naphtho[2,1-f]isochromen-5-yl-acetat [German] [ACD/IUPAC Name]
3H-Phenanthro[2,1-c]pyran-3-one, 5-(acetyloxy)-1-(3-furanyl)-1,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-8,10-dihydroxy-4b,7,7,10a,12a-pentamethyl-, (1S,4bS,5R,8R,10S,10aR,12aR)- [ACD/Index Name]
Acétate de (1S,4bS,5R,8R,10S,10aR,12aR)-1-(3-furyl)-8,10-dihydroxy-4b,7,7,10a,12a-pentaméthyl-3-oxo-3,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-tétradécahydro-1H-naphto[2,1-f]isochromén-5-yle [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: 615.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.9±3.0 kJ/mol
Flash Point: 325.8±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 128.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 398.28
ACD/KOC (pH 5.5): 2528.26
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 398.28
ACD/KOC (pH 7.4): 2528.26
Polar Surface Area: 106 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 387.2±5.0 cm3

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