ChemSpider 2D Image | (1R,2S,11S,18R)-11-Hydroxy-2-[(1E,3E,5S)-5-hydroxy-4-methyl-6-methylene-1,3-decadien-1-yl]-10,14-dimethyl-6-methylene-3,21-dioxabicyclo[16.2.1]henicos-9-ene-4,13,16-trione | C34H50O7

(1R,2S,11S,18R)-11-Hydroxy-2-[(1E,3E,5S)-5-hydroxy-4-methyl-6-methylene-1,3-decadien-1-yl]-10,14-dimethyl-6-methylene-3,21-dioxabicyclo[16.2.1]henicos-9-ene-4,13,16-trione

  • Molecular FormulaC34H50O7
  • Average mass570.757 Da
  • Monoisotopic mass570.355652 Da
  • ChemSpider ID8183788

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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(1R,2S,11S,18R)-11-Hydroxy-2-[(1E,3E,5S)-5-hydroxy-4-methyl-6-methylen-1,3-decadien-1-yl]-10,14-dimethyl-6-methylen-3,21-dioxabicyclo[16.2.1]henicos-9-en-4,13,16-trion [German] [ACD/IUPAC Name]
(1R,2S,11S,18R)-11-Hydroxy-2-[(1E,3E,5S)-5-hydroxy-4-methyl-6-methylene-1,3-decadien-1-yl]-10,14-dimethyl-6-methylene-3,21-dioxabicyclo[16.2.1]henicos-9-ene-4,13,16-trione [ACD/IUPAC Name]
(1R,2S,11S,18R)-11-Hydroxy-2-[(1E,3E,5S)-5-hydroxy-4-méthyl-6-méthylène-1,3-décadién-1-yl]-10,14-diméthyl-6-méthylène-3,21-dioxabicyclo[16.2.1]hénicos-9-ène-4,13,16-trione [French] [ACD/IUPAC Name]
3,21-Dioxabicyclo[16.2.1]heneicos-9-ene-4,13,16-trione, 11-hydroxy-2-[(1E,3E,5S)-5-hydroxy-4-methyl-6-methylene-1,3-decadien-1-yl]-10,14-dimethyl-6-methylene-, (1R,2S,11S,18R)- [ACD/Index Name]
amphidinolide U

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

Density: 1.1±0.1 g/cm3
Boiling Point: 753.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.3±6.0 kJ/mol
Flash Point: 232.7±26.4 °C
Index of Refraction: 1.534
Molar Refractivity: 160.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 983.49
ACD/KOC (pH 5.5): 4828.64
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 983.49
ACD/KOC (pH 7.4): 4828.63
Polar Surface Area: 110 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 516.6±5.0 cm3

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