ChemSpider 2D Image | thaixylogranin H | C32H40O9

thaixylogranin H

  • Molecular FormulaC32H40O9
  • Average mass568.655 Da
  • Monoisotopic mass568.267212 Da
  • ChemSpider ID63002523

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(1R,2S,5R,6R,13S,14R,16S)-6-(3-Furyl)-16-(1-hydroxy-2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadeca-9,11-dien-14-yl 2-methylbutanoate [ACD/IUPAC Name]
(1R,2S,5R,6R,13S,14R,16S)-6-(3-Furyl)-16-(1-hydroxy-2-methoxy-2-oxoethyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadeca-9,11-dien-14-yl-2-methylbutanoat [German] [ACD/IUPAC Name]
2-Méthylbutanoate de (1R,2S,5R,6R,13S,14R,16S)-6-(3-furyl)-16-(1-hydroxy-2-méthoxy-2-oxoéthyl)-1,5,15,15-tétraméthyl-8,17-dioxo-7-oxatétracyclo[11.3.1.02,11.05,10]heptadéca-9,11-dién-14-yle [French] [ACD/IUPAC Name]
7,11-Methano-2H-cycloocta[3,4]benzo[1,2-c]pyran-8-acetic acid, 4-(3-furanyl)-4,4a,5,6,6a,7,8,9,10,11-decahydro-α-hydroxy-4a,7,9,9-tetramethyl-10-(2-methyl-1-oxobutoxy)-2,13-dioxo-, methyl ester, ( 4R,4aR,6aS,7R,8S,10R,11S)- [ACD/Index Name]
thaixylogranin H

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

Density: 1.3±0.1 g/cm3
Boiling Point: 698.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 376.0±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 147.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 853.78
ACD/KOC (pH 5.5): 4363.72
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 853.77
ACD/KOC (pH 7.4): 4363.69
Polar Surface Area: 129 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 447.1±5.0 cm3

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