ChemSpider 2D Image | Methyl 15-[(3,4-dimethyl-2-pentenoyl)oxy]-11,12-dihydroxy-3-methoxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate | C29H38O11

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

  • Molecular FormulaC29H38O11
  • Average mass562.605 Da
  • Monoisotopic mass562.241394 Da
  • ChemSpider ID290586

More details:

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

15-[(3,4-Diméthyl-2-pentenoyl)oxy]-11,12-dihydroxy-3-méthoxy-2,16-dioxo-13,20-époxypicras-3-én-21-oate de méthyle [French] [ACD/IUPAC Name]
Methyl 15-[(3,4-dimethyl-2-pentenoyl)oxy]-11,12-dihydroxy-3-methoxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate [ACD/IUPAC Name]
Methyl-15-[(3,4-dimethyl-2-pentenoyl)oxy]-11,12-dihydroxy-3-methoxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oat [German] [ACD/IUPAC Name]
Picras-3-en-21-oic acid, 15-[(3,4-dimethyl-1-oxo-2-penten-1-yl)oxy]-13,20-epoxy-11,12-dihydroxy-3-methoxy-2,16-dioxo-, methyl ester [ACD/Index Name]
BRUCEANTIN-1-METHYL ETHER
Bruceantin-3-methyl ether

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

NSC305729 [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: 719.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.1±6.0 kJ/mol
Flash Point: 232.6±26.4 °C
Index of Refraction: 1.579
Molar Refractivity: 137.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.68
ACD/KOC (pH 5.5): 703.46
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.68
ACD/KOC (pH 7.4): 703.45
Polar Surface Area: 155 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 413.2±5.0 cm3

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