Found 27 results

Search term: MF = 'C_{28}H_{34}O_{12}'
ChemSpider 2D Image | Methyl 2,11,12-trihydroxy-15-{[2-(1-hydroxyethyl)-3-methyl-2-butenoyl]oxy}-3,16-dioxo-13,20-epoxypicrasa-1,4-dien-21-oate | C28H34O12

Methyl 2,11,12-trihydroxy-15-{[2-(1-hydroxyethyl)-3-methyl-2-butenoyl]oxy}-3,16-dioxo-13,20-epoxypicrasa-1,4-dien-21-oate

  • Molecular FormulaC28H34O12
  • Average mass562.562 Da
  • Monoisotopic mass562.205017 Da
  • ChemSpider ID278801

More details:

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

2,11,12-Trihydroxy-15-{[2-(1-hydroxyéthyl)-3-méthyl-2-butenoyl]oxy}-3,16-dioxo-13,20-époxypicrasa-1,4-dién-21-oate de méthyle [French] [ACD/IUPAC Name]
Methyl 2,11,12-trihydroxy-15-{[2-(1-hydroxyethyl)-3-methyl-2-butenoyl]oxy}-3,16-dioxo-13,20-epoxypicrasa-1,4-dien-21-oate [ACD/IUPAC Name]
Methyl-2,11,12-trihydroxy-15-{[2-(1-hydroxyethyl)-3-methyl-2-butenoyl]oxy}-3,16-dioxo-13,20-epoxypicrasa-1,4-dien-21-oat [German] [ACD/IUPAC Name]
Picrasa-1,4-dien-21-oic acid, 13,20-epoxy-2,11,12-trihydroxy-15-[[2-(1-hydroxyethyl)-3-methyl-1-oxo-2-buten-1-yl]oxy]-3,16-dioxo-, methyl ester [ACD/Index Name]
53663-02-8 [RN]
DEHYDROBRUCEANTOL

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

NSC238180 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 796.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±6.0 kJ/mol
Flash Point: 262.6±26.4 °C
Index of Refraction: 1.624
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.92
ACD/KOC (pH 5.5): 367.08
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 20.48
ACD/KOC (pH 7.4): 279.27
Polar Surface Area: 186 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 378.0±5.0 cm3

Click to predict properties on the Chemicalize site


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