Found 27 results

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

Methyl (11β,12α,13β,15β)-3-acetoxy-11,12-dihydroxy-15-[(3-methyl-2-butenoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate

  • Molecular FormulaC28H34O12
  • Average mass562.562 Da
  • Monoisotopic mass562.205017 Da
  • ChemSpider ID10145992

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(11β,12α,13β,15β)-3-Acétoxy-11,12-dihydroxy-15-[(3-méthyl-2-butenoyl)oxy]-2,16-dioxo-13,20-époxypicras-3-én-21-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (11β,12α,13β,15β)-3-acetoxy-11,12-dihydroxy-15-[(3-methyl-2-butenoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate [ACD/IUPAC Name]
Methyl-(11β,12α,13β,15β)-3-acetoxy-11,12-dihydroxy-15-[(3-methyl-2-butenoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oat [German] [ACD/IUPAC Name]
Picras-3-en-21-oic acid, 3-(acetyloxy)-13,20-epoxy-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-2,16-dioxo-, methyl ester, (11β,12α,13β,15β)- [ACD/Index Name]
NSC-715768

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

NCI60_040022 [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: 739.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.2±6.0 kJ/mol
Flash Point: 242.3±26.4 °C
Index of Refraction: 1.591
Molar Refractivity: 132.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 25.11
ACD/KOC (pH 5.5): 349.63
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 25.11
ACD/KOC (pH 7.4): 349.63
Polar Surface Area: 172 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 393.2±5.0 cm3

Click to predict properties on the Chemicalize site


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