ChemSpider 2D Image | 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl (3E)-4-methyl-3-nonenoate | C30H40O9

1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl (3E)-4-methyl-3-nonenoate

  • Molecular FormulaC30H40O9
  • Average mass544.633 Da
  • Monoisotopic mass544.267212 Da
  • ChemSpider ID4585566
  • Double-bond stereo - Double-bond stereo


More details:






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

(3E)-4-Méthyl-3-nonénoate de 1,11,12-trihydroxy-2,16-dioxo-11,20-époxypicrasa-3,13(21)-dién-15-yle [French] [ACD/IUPAC Name]
1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl (3E)-4-methyl-3-nonenoate [ACD/IUPAC Name]
1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl-(3E)-4-methyl-3-nonenoat [German] [ACD/IUPAC Name]
3-Nonenoic acid, 4-methyl-, 11,20-epoxy-1,11,12-trihydroxy-2,16-dioxopicrasa-3,13(21)-dien-15-yl ester, (3E)- [ACD/Index Name]
Picrasa-3,13(21)-diene-2,16-dione, 11,20-epoxy-1,11, 12-trihydroxy-15-[(4-methyl-1-oxo-3-nonenyl)oxy]-, [1β, 11β,12α,15β(E)]-
Picrasa-3,13(21)-diene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-[(4-methyl-1-oxo-3-nonenyl)oxy]-, [1β,11β,12α,15β(E)]-
QUASSINOID

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

NSC368672 [DBID]
Sun 2071 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 729.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.6±6.0 kJ/mol
Flash Point: 235.8±26.4 °C
Index of Refraction: 1.593
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 116.77
ACD/KOC (pH 5.5): 1050.51
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.75
ACD/KOC (pH 7.4): 1050.39
Polar Surface Area: 140 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 412.5±5.0 cm3

Click to predict properties on the Chemicalize site






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