ChemSpider 2D Image | Methyl 15-[(4-acetoxy-3,4-dimethyl-2-pentenoyl)oxy]-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate | C30H38O13

Methyl 15-[(4-acetoxy-3,4-dimethyl-2-pentenoyl)oxy]-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate

  • Molecular FormulaC30H38O13
  • Average mass606.615 Da
  • Monoisotopic mass606.231262 Da
  • ChemSpider ID3680168

More details:

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

15-[(4-Acétoxy-3,4-diméthyl-2-pentenoyl)oxy]-3,11,12-trihydroxy-2,16-dioxo-13,20-époxypicras-3-én-21-oate de méthyle [French] [ACD/IUPAC Name]
Methyl 15-[(4-acetoxy-3,4-dimethyl-2-pentenoyl)oxy]-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate [ACD/IUPAC Name]
Methyl-15-[(4-acetoxy-3,4-dimethyl-2-pentenoyl)oxy]-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oat [German] [ACD/IUPAC Name]
Picras-3-en-21-oic acid, 15-[[4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester [ACD/Index Name]
53729-52-5 [RN]
bruceantinol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 788.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.7±6.0 kJ/mol
Flash Point: 253.6±26.4 °C
Index of Refraction: 1.595
Molar Refractivity: 143.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.62
ACD/KOC (pH 5.5): 344.69
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.71
ACD/KOC (pH 7.4): 331.91
Polar Surface Area: 192 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 64.4±5.0 dyne/cm
Molar Volume: 422.9±5.0 cm3

Click to predict properties on the Chemicalize site


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