ChemSpider 2D Image | (1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-5-Chloro-1-(~13~C_2_,~2~H_3_)ethanoyl-1-hydroxy-10a-methyl-8b-(~2~H_3_)methyl(6,7a-~2~H_2_)-2,3,3a,3b,7a,8,8a,8b,8c,9,10,10a-dodecahydrocyclopenta[a]cyclopropa[g]phen anthren-7(1H)-one | C2013C2H19D8ClO3

(1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-5-Chloro-1-(13C2,2H3)ethanoyl-1-hydroxy-10a-methyl-8b-(2H3)methyl(6,7a-2H2)-2,3,3a,3b,7a,8,8a,8b,8c,9,10,10a-dodecahydrocyclopenta[a]cyclopropa[g]phen anthren-7(1H)-one

  • Molecular FormulaC2013C2H19D8ClO3
  • Average mass384.936 Da
  • Monoisotopic mass384.221802 Da
  • ChemSpider ID58781962

  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-5-Chlor-1-(13C2,2H3)ethanoyl-1-hydroxy-10a-methyl-8b-(2H3)methyl(6,7a-2H2)-2,3,3a,3b,7a,8,8a,8b,8c,9,10,10a-dodecahydrocyclopenta[a]cyclopropa[g]phena nthren-7(1H)-on [German] [ACD/IUPAC Name]
(1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-5-Chloro-1-(13C2,2H3)ethanoyl-1-hydroxy-10a-methyl-8b-(2H3)methyl(6,7a-2H2)-2,3,3a,3b,7a,8,8a,8b,8c,9,10,10a-dodecahydrocyclopenta[a]cyclopropa[g]phen anthren-7(1H)-one [ACD/IUPAC Name]
(1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-5-Chloro-1-(13C2,2H3)éthanoyl-1-hydroxy-10a-méthyl-8b-(2H3)méthyl(6,7a-2H2)-2,3,3a,3b,7a,8,8a,8b,8c,9,10,10a-dodécahydrocyclopenta[a]cyclopropa[g]phén anthrén-7(1H)-one [French] [ACD/IUPAC Name]
Cyclopenta[a]cyclopropa[g]phenanthren-7(1H)-one-6-d, 5-chloro-2,3,3a,3b,7a,8,8a,8b,8c,9,10,10a-dodecahydro-7a-d-1-hydroxy-10a-methyl-8b-(methyl-d3)-1-(1-oxoethyl-1,2-13C2-2,2,2-d3)-, (1R,3aS,3 bR,7aR,8aS,8bS,8cS,10aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.605
Molar Refractivity: 99.6±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 289.2±5.0 cm3

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