ChemSpider 2D Image | (3bS,4aS,5aR,6aS,7aS,7bS,8aS,8bS)-6a-Isopropyl-8b-methyl-1-oxo-1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodecahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-6-yl 4-(diethylamino)-4-oxobutanoate | C28H37NO8

(3bS,4aS,5aR,6aS,7aS,7bS,8aS,8bS)-6a-Isopropyl-8b-methyl-1-oxo-1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodecahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-6-yl 4-(diethylamino)-4-oxobutanoate

  • Molecular FormulaC28H37NO8
  • Average mass515.595 Da
  • Monoisotopic mass515.251892 Da
  • ChemSpider ID8294124

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(3bS,4aS,5aR,6aS,7aS,7bS,8aS,8bS)-6a-Isopropyl-8b-methyl-1-oxo-1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodecahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-6-yl 4-(diethylamino)-4-oxobutanoate [ACD/IUPAC Name]
(3bS,4aS,5aR,6aS,7aS,7bS,8aS,8bS)-6a-Isopropyl-8b-methyl-1-oxo-1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodecahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-6-yl-4-(diethylamino)-4-oxobutanoat [German] [ACD/IUPAC Name]
4-(Diéthylamino)-4-oxobutanoate de (3bS,4aS,5aR,6aS,7aS,7bS,8aS,8bS)-6a-isopropyl-8b-méthyl-1-oxo-1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodécahydrotrisoxiréno[6,7:8a,9:4b,5]phénanthro[1,2-c]furan-6-yle [French] [ACD/IUPAC Name]
Butanoic acid, 4-(diethylamino)-4-oxo-, (3bS,4aS,5aR,6aS,7aS,7bS,8aS,8bS)-1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodecahydro-8b-methyl-6a-(1-methylethyl)-1-oxotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan- 6-yl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 693.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.1±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 129.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.14
ACD/KOC (pH 5.5): 96.15
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.14
ACD/KOC (pH 7.4): 96.15
Polar Surface Area: 111 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 380.5±5.0 cm3

Click to predict properties on the Chemicalize site


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