ChemSpider 2D Image | 2-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-Dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-oxoethyl methanesulfona te | C31H38N2O6S

2-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-Dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-oxoethyl methanesulfona te

  • Molecular FormulaC31H38N2O6S
  • Average mass566.708 Da
  • Monoisotopic mass566.245056 Da
  • ChemSpider ID149389

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-Dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-oxoethyl methanesulfona te [ACD/IUPAC Name]
2-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-Dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-oxoethyl-methansulfonat [German] [ACD/IUPAC Name]
Ethanone, 1-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydro-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenylcyclopenta[5,6]naphth[1,2-f]indazol-1-yl]-2-[(methylsulfon yl)oxy]- [ACD/Index Name]
Méthanesulfonate de 2-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-dihydroxy-2,5,10a,12a-tétraméthyl-7-phényl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodécahydrocyclopenta[5,6]naphto[1,2-f]indazol-1-yl]-2-oxoé thyle [French] [ACD/IUPAC Name]
11,17,21-Trihydroxy-6,16-dimethyl-2'-phenyl-2'H-pregna-2,4,6-trieno(3,2-c)pyrazol-20-one-21-methanesulfonate
2'H-Pregna-2,4,6-trieno(3,2-c)pyrazol-20-one, 11,17-dihydroxy-6,16-dimethyl-21-((methylsulfonyl)oxy)-2'-phenyl-, (11β,16α)-
50630-90-5 [RN]
Deacylcortivazol 21-mesylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 750.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 407.7±32.9 °C
Index of Refraction: 1.670
Molar Refractivity: 151.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1151.59
ACD/KOC (pH 5.5): 5405.96
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1151.59
ACD/KOC (pH 7.4): 5406.00
Polar Surface Area: 127 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 405.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement