ChemSpider 2D Image | (3bS,4aS,5aS,6R,7aS,7bS,8aS,8bS)-6-Hydroxy-6a-isopropyl-8b-methyl(3,3,3b-~2~H_3_)-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one | C20H21D3O6

(3bS,4aS,5aS,6R,7aS,7bS,8aS,8bS)-6-Hydroxy-6a-isopropyl-8b-methyl(3,3,3b-2H3)-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one

  • Molecular FormulaC20H21D3O6
  • Average mass363.419 Da
  • Monoisotopic mass363.176117 Da
  • ChemSpider ID95532191

  • defined stereocentres - 8 of 9 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3bS,4aS,5aS,6R,7aS,7bS,8aS,8bS)-6-Hydroxy-6a-isopropyl-8b-methyl(3,3,3b-2H3)-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-on [German] [ACD/IUPAC Name]
(3bS,4aS,5aS,6R,7aS,7bS,8aS,8bS)-6-Hydroxy-6a-isopropyl-8b-methyl(3,3,3b-2H3)-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one [ACD/IUPAC Name]
(3bS,4aS,5aS,6R,7aS,7bS,8aS,8bS)-6-Hydroxy-6a-isopropyl-8b-méthyl(3,3,3b-2H3)-3b,4,4a,6,6a,7a,7b,8b,9,10-décahydrotrisoxiréno[6,7:8a,9:4b,5]phénanthro[1,2-c]furan-1(3H)-one [French] [ACD/IUPAC Name]
Trisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one-3,3-d2, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-3b-d-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, (3bS,4aS,5aS,6R,7aS,7bS,8aS,8bS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 601.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.7±6.0 kJ/mol
Flash Point: 220.7±25.0 °C
Index of Refraction: 1.647
Molar Refractivity: 88.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.91
ACD/KOC (pH 5.5): 55.28
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.91
ACD/KOC (pH 7.4): 55.28
Polar Surface Area: 84 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 243.0±5.0 cm3

Click to predict properties on the Chemicalize site


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