ChemSpider 2D Image | 3-oxo-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone | C26H38O3

3-oxo-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone

  • Molecular FormulaC26H38O3
  • Average mass398.578 Da
  • Monoisotopic mass398.282104 Da
  • ChemSpider ID28424543

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5α,13α,17α,20S)-4,4,14-Trimethyl-3-oxocard-7-enolid [German] [ACD/IUPAC Name]
(5α,13α,17α,20S)-4,4,14-Trimethyl-3-oxocard-7-enolide [ACD/IUPAC Name]
(5α,13α,17α,20S)-4,4,14-Triméthyl-3-oxocard-7-énolide [French] [ACD/IUPAC Name]
3-oxo-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone
Card-7-enolide, 4,4,14-trimethyl-3-oxo-, (5α,13α,17α,20S)- [ACD/Index Name]
3-Oxo-24,25,26,27-tetranortirucall-7-en-23,21-olide
828935-47-3 [RN]
MFCD20260813

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

Density: 1.1±0.1 g/cm3
Boiling Point: 523.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 224.3±30.2 °C
Index of Refraction: 1.549
Molar Refractivity: 113.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5490.81
ACD/KOC (pH 5.5): 16535.75
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5490.81
ACD/KOC (pH 7.4): 16535.75
Polar Surface Area: 43 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 357.9±5.0 cm3

Click to predict properties on the Chemicalize site


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