ChemSpider 2D Image | (5alpha,13alpha,17alpha,20S,21R)-21-Methoxy-4,4,14-trimethyl-3-oxocard-7-enolide | C27H40O4

(5α,13α,17α,20S,21R)-21-Methoxy-4,4,14-trimethyl-3-oxocard-7-enolide

  • Molecular FormulaC27H40O4
  • Average mass428.604 Da
  • Monoisotopic mass428.292664 Da
  • ChemSpider ID62959982

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5α,13α,17α,20S,21R)-21-Methoxy-4,4,14-trimethyl-3-oxocard-7-enolid [German] [ACD/IUPAC Name]
(5α,13α,17α,20S,21R)-21-Methoxy-4,4,14-trimethyl-3-oxocard-7-enolide [ACD/IUPAC Name]
(5α,13α,17α,20S,21R)-21-Méthoxy-4,4,14-triméthyl-3-oxocard-7-énolide [French] [ACD/IUPAC Name]
Card-7-enolide, 21-methoxy-4,4,14-trimethyl-3-oxo-, (5α,13α,17α,20S,21R)- [ACD/Index Name]
(4S,5R)-5-methoxy-4-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one
1260173-73-6 [RN]
3-Oxo-21??-methoxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone
3-Oxo-21|A-methoxy-24,25,26,27-tetranortirucall-7-ene-23(21)-lactone

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

Density: 1.1±0.1 g/cm3
Boiling Point: 543.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 231.2±30.2 °C
Index of Refraction: 1.544
Molar Refractivity: 120.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2171.63
ACD/KOC (pH 5.5): 8512.72
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2171.63
ACD/KOC (pH 7.4): 8512.72
Polar Surface Area: 53 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 380.6±5.0 cm3

Click to predict properties on the Chemicalize site


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