ChemSpider 2D Image | EPI-TRIPTOLIDE | C20H26O7

EPI-TRIPTOLIDE

  • Molecular FormulaC20H26O7
  • Average mass378.416 Da
  • Monoisotopic mass378.167847 Da
  • ChemSpider ID21468862
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(1aS,1bS,6bS,7aS,8aS,9R,10S,11S,11aS)-9,10,11-Trihydroxy-10-isopropyl-1b-methyl-1b,3,6,6b,7,7a,9,10,11,11a-decahydrobisoxireno[8a,9:4b,5]phenanthro[1,2-c]furan-4(2H)-on [German] [ACD/IUPAC Name]
(1aS,1bS,6bS,7aS,8aS,9R,10S,11S,11aS)-9,10,11-Trihydroxy-10-isopropyl-1b-methyl-1b,3,6,6b,7,7a,9,10,11,11a-decahydrobisoxireno[8a,9:4b,5]phenanthro[1,2-c]furan-4(2H)-one [ACD/IUPAC Name]
(1aS,1bS,6bS,7aS,8aS,9R,10S,11S,11aS)-9,10,11-Trihydroxy-10-isopropyl-1b-méthyl-1b,3,6,6b,7,7a,9,10,11,11a-décahydrobisoxiréno[8a,9:4b,5]phénanthro[1,2-c]furan-4(2H)-one [French] [ACD/IUPAC Name]
147852-78-6 [RN]
Bisoxireno[8a,9:4b,5]phenanthro[1,2-c]furan-4(2H)-one, 1b,3,6,6b,7,7a,9,10,11,11a-decahydro-9,10,11-trihydroxy-1b-methyl-10-(1-methylethyl)-, (1aS,1bS,6bS,7aS,8aS,9R,10S,11S,11aS)- [ACD/Index Name]
EPI-TRIPTOLIDE
14-Epitriptolide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 628.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.5±6.0 kJ/mol
Flash Point: 227.2±25.0 °C
Index of Refraction: 1.653
Molar Refractivity: 91.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.21
ACD/KOC (pH 5.5): 61.46
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.21
ACD/KOC (pH 7.4): 61.46
Polar Surface Area: 112 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 250.4±5.0 cm3

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