ChemSpider 2D Image | (1beta,6alpha,11beta,12alpha)-1-Acetoxy-11,12-dihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-6-yl 3-methyl-2-butenoate | C27H34O10

(1β,6α,11β,12α)-1-Acetoxy-11,12-dihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-6-yl 3-methyl-2-butenoate

  • Molecular FormulaC27H34O10
  • Average mass518.553 Da
  • Monoisotopic mass518.215210 Da
  • ChemSpider ID32772611

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1β,6α,11β,12α)-1-Acetoxy-11,12-dihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-6-yl 3-methyl-2-butenoate [ACD/IUPAC Name]
(1β,6α,11β,12α)-1-Acetoxy-11,12-dihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-6-yl-3-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 3-methyl-, (1β,6α,11β,12α)-1-(acetyloxy)-11,20-epoxy-11,12-dihydroxy-2,16-dioxopicras-3-en-6-yl ester [ACD/Index Name]
3-Méthyl-2-buténoate de (1β,6α,11β,12α)-1-acétoxy-11,12-dihydroxy-2,16-dioxo-11,20-époxypicras-3-én-6-yle [French] [ACD/IUPAC Name]
(1β,6α,12α)-1-(Acetyloxy)-11,12-dihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-6-yl 3-methylbut-2-enoate
68499-53-6 [RN]
Picras-3-ene-2,16-dione, 1-(acetyloxy)-11,20-epoxy-11,12-dihydroxy-6-[(3-methyl-1-oxo-2-butenyl)oxy]-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 680.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.2±6.0 kJ/mol
Flash Point: 224.4±25.0 °C
Index of Refraction: 1.590
Molar Refractivity: 126.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.41
ACD/KOC (pH 5.5): 145.90
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.41
ACD/KOC (pH 7.4): 145.89
Polar Surface Area: 146 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 375.2±5.0 cm3

Click to predict properties on the Chemicalize site


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