Found 27 results

Search term: MF = 'C_{28}H_{34}O_{12}'
ChemSpider 2D Image | Methyl (11beta,12alpha,13xi,15beta)-3,11,12-trihydroxy-15-{[(2E)-3-(2-methyl-2-oxiranyl)-2-butenoyl]oxy}-2,16-dioxo-13,20-epoxypicras-3-en-21-oate | C28H34O12

Methyl (11β,12α,13ξ,15β)-3,11,12-trihydroxy-15-{[(2E)-3-(2-methyl-2-oxiranyl)-2-butenoyl]oxy}-2,16-dioxo-13,20-epoxypicras-3-en-21-oate

  • Molecular FormulaC28H34O12
  • Average mass562.562 Da
  • Monoisotopic mass562.205017 Da
  • ChemSpider ID4531613

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(11β,12α,13ξ,15β)-3,11,12-Trihydroxy-15-{[(2E)-3-(2-méthyl-2-oxiranyl)-2-butenoyl]oxy}-2,16-dioxo-13,20-époxypicras-3-én-21-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (11β,12α,13ξ,15β)-3,11,12-trihydroxy-15-{[(2E)-3-(2-methyl-2-oxiranyl)-2-butenoyl]oxy}-2,16-dioxo-13,20-epoxypicras-3-en-21-oate [ACD/IUPAC Name]
Methyl-(11β,12α,13ξ,15β)-3,11,12-trihydroxy-15-{[(2E)-3-(2-methyl-2-oxiranyl)-2-butenoyl]oxy}-2,16-dioxo-13,20-epoxypicras-3-en-21-oat [German] [ACD/IUPAC Name]
Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-[[(2E)-3-(2-methyloξranyl)-1-oxo-2-buten-1-yl]oxy]-2,16-dioxo-, methyl ester, (11β,12α,13ξ,15β)- [ACD/Index Name]
78338-23-5 [RN]
BRUCEANTIN, 4',5'-EPOXY
MC-27-BA
Picras-3-en-21-oic acid, 13, 20-epoxy-3,11, 12-trihydroxy-15-[[3-(2-methyloxiranyl)-1-oxo-2-butenyl]oxy]-2, 16-dioxo-, methyl ester, [11β,12α,15β(E)]-

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

NSC317019 [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: 772.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.2±6.0 kJ/mol
Flash Point: 255.3±26.4 °C
Index of Refraction: 1.622
Molar Refractivity: 132.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.64
ACD/KOC (pH 5.5): 87.72
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.50
ACD/KOC (pH 7.4): 84.46
Polar Surface Area: 178 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 69.4±5.0 dyne/cm
Molar Volume: 375.3±5.0 cm3

Click to predict properties on the Chemicalize site


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