ChemSpider 2D Image | (3beta,5xi,9beta,11beta,24R)-16,23-Dioxo-24,25-epoxy-9,19-cyclolanost-7-ene-3,11-diyl diacetate | C34H48O7

(3β,5ξ,9β,11β,24R)-16,23-Dioxo-24,25-epoxy-9,19-cyclolanost-7-ene-3,11-diyl diacetate

  • Molecular FormulaC34H48O7
  • Average mass568.741 Da
  • Monoisotopic mass568.340027 Da
  • ChemSpider ID9932399

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3β,5ξ,9β,11β,24R)-16,23-Dioxo-24,25-epoxy-9,19-cyclolanost-7-en-3,11-diyl-diacetat [German] [ACD/IUPAC Name]
(3β,5ξ,9β,11β,24R)-16,23-Dioxo-24,25-epoxy-9,19-cyclolanost-7-ene-3,11-diyl diacetate [ACD/IUPAC Name]
9,19-Cyclolanost-7-ene-16,23-dione, 3,11-bis(acetyloxy)-24,25-epoxy-, (3β,5ξ,9β,11β,24R)- [ACD/Index Name]
Diacétate de (3β,5ξ,9β,11β,24R)-16,23-dioxo-24,25-époxy-9,19-cyclolanost-7-ène-3,11-diyle [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: 632.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 261.2±31.5 °C
Index of Refraction: 1.555
Molar Refractivity: 152.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2918.64
ACD/KOC (pH 5.5): 10518.93
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2918.64
ACD/KOC (pH 7.4): 10518.93
Polar Surface Area: 99 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 475.3±5.0 cm3

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