ChemSpider 2D Image | 2-(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 acetate | C32H38N2O5

2-(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 acetate

  • Molecular FormulaC32H38N2O5
  • Average mass530.654 Da
  • Monoisotopic mass530.278076 Da
  • ChemSpider ID368881

More details:






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

2-(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 acetate [ACD/IUPAC Name]
2-(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-acetat [German] [ACD/IUPAC Name]
Acétate de 2-(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-oxoéthyle [French] [ACD/IUPAC Name]
Ethanone, 2-(acetyloxy)-1-(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)- [ACD/Index Name]
11β,17,21-Trihydroxy-6, 16α-dimethyl-2'-phenyl-2'H-pregna-2,4,6-trieno[3, 2-c]pyrazol-20-one 21-acetate
11β,17,21-Trihydroxy-6,16α-dimethyl-2'-phenyl-2'H-pregna-2,4,6-trieno[3,2-c]pyrazol-20-one 21-acetate
2'H-Pregna-2,4, 6-trieno[3,2-c]pyrazol-20-one, 21- (acetyloxy)-11,17-dihydroxy-6, 16-dimethyl-2'-phenyl-, (11β,16α)-
2'H-Pregna-2,4,6-trieno[3, 2-c]pyrazol-20-one, 11β,17,21-trihydroxy-6, 16α-dimethyl-2'-phenyl-, 21-acetate
2'H-Pregna-2,4,6-trieno[3,2-c]pyrazol-20-one, 11β,17,21-trihydroxy-6,16α-dimethyl-2'-phenyl-, 21-acetate
2'H-Pregna-2,4,6-trieno[3,2-c]pyrazol-20-one, 21-(acetyloxy)-11,17-dihydroxy-6,16-dimethyl-2'-phenyl-, (11β,16α)-

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

FDA 0492 [DBID]
H 3625 [DBID]
NSC80998 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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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