ChemSpider 2D Image | (1beta,12alpha,15beta)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 2-acetoxy-2-methylbutanoate | C27H36O11

(1β,12α,15β)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 2-acetoxy-2-methylbutanoate

  • Molecular FormulaC27H36O11
  • Average mass536.568 Da
  • Monoisotopic mass536.225769 Da
  • ChemSpider ID268704

  • defined stereocentres - 10 of 12 defined stereocentres

More details:

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

(1β,12α,15β)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 2-acetoxy-2-methylbutanoate [ACD/IUPAC Name]
(1β,12α,15β)-1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl-2-acetoxy-2-methylbutanoat [German] [ACD/IUPAC Name]
2-Acétoxy-2-méthylbutanoate de (1β,12α,15β)-1,11,12-trihydroxy-2,16-dioxo-11,20-époxypicras-3-én-15-yle [French] [ACD/IUPAC Name]
Butanoic acid, 2-(acetyloxy)-2-methyl-, (1β,12α,15β)-11,20-epoxy-1,11,12-trihydroxy-2,16-dioxopicras-3-en-15-yl ester [ACD/Index Name]
2'-Acetylglaucarubinone
2-ACETYLGLAUCARUBINONE
33957-83-4 [RN]
GLAUCARUBINONE,2'-ACETYL
Glaucarubinone-2'-acetate
Picras-3-ene-2,16-dione, 15-(2-(acetyloxy)-2-methyl-1-oxobutoxy)-11,20-epoxy-1,11,12-trihydroxy-, (1β,11β,12α,14β)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC194251 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 722.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.6±6.0 kJ/mol
Flash Point: 238.2±26.4 °C
Index of Refraction: 1.592
Molar Refractivity: 128.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.04
ACD/KOC (pH 5.5): 77.09
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.04
ACD/KOC (pH 7.4): 77.08
Polar Surface Area: 166 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 379.7±5.0 cm3

Click to predict properties on the Chemicalize site


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