ChemSpider 2D Image | (1beta,3alpha,12beta,24R)-20,24-Epoxydammarane-1,3,12,25-tetrayl tetraacetate | C38H60O9

(1β,3α,12β,24R)-20,24-Epoxydammarane-1,3,12,25-tetrayl tetraacetate

  • Molecular FormulaC38H60O9
  • Average mass660.878 Da
  • Monoisotopic mass660.423706 Da
  • ChemSpider ID8547648

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1β,3α,12β,24R)-20,24-Epoxydammaran-1,3,12,25-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
(1β,3α,12β,24R)-20,24-Epoxydammarane-1,3,12,25-tetrayl tetraacetate [ACD/IUPAC Name]
Dammarane-1,3,12,25-tetrol, 20,24-epoxy-, tetraacetate, (1β,3α,12β,24R)- [ACD/Index Name]
Tetraacétate de (1β,3α,12β,24R)-20,24-époxydammarane-1,3,12,25-tétrayle [French] [ACD/IUPAC Name]
(1R,3R,5S,8R,9S,10R,12R,13R,14R,17S)-17-((2S,5R)-5-(2-acetoxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,3,12-triyl triacetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 639.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 257.0±31.5 °C
Index of Refraction: 1.524
Molar Refractivity: 176.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 7.34
ACD/BCF (pH 5.5): 222520.31
ACD/KOC (pH 5.5): 234003.39
ACD/LogD (pH 7.4): 7.34
ACD/BCF (pH 7.4): 222520.31
ACD/KOC (pH 7.4): 234003.39
Polar Surface Area: 114 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 578.1±5.0 cm3

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