ChemSpider 2D Image | 2-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-Dihydroxy-2,5,10a,12a-tetramethyl-7-(~2~H_5_)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 aceta te | C32H33D5N2O5

2-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-Dihydroxy-2,5,10a,12a-tetramethyl-7-(2H5)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 aceta te

  • Molecular FormulaC32H33D5N2O5
  • Average mass535.685 Da
  • Monoisotopic mass535.309448 Da
  • ChemSpider ID58780489

  • 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

2-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-Dihydroxy-2,5,10a,12a-tetramethyl-7-(2H5)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 aceta
 te [ACD/IUPAC Name]
2-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-Dihydroxy-2,5,10a,12a-tetramethyl-7-(2H5)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-aceta
 t [German] [ACD/IUPAC Name]
Acétate de 2-[(1R,2R,3aS,3bS,10aR,10bS,11S,12aS)-1,11-dihydroxy-2,5,10a,12a-tétraméthyl-7-(2H5)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]
Ethanone, 2-(acetyloxy)-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-(phenyl-d5)cyclopenta[5,6]naphth[1,2-f]indazol-1 -yl]- [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: 686.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 368.7±31.5 °C
Index of Refraction: 1.660
Molar Refractivity: 147.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3594.20
ACD/KOC (pH 5.5): 12209.33
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3594.24
ACD/KOC (pH 7.4): 12209.46
Polar Surface Area: 102 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 398.7±7.0 cm3

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