Found 78 results

Search term: MF = 'C_{29}H_{34}O_{9}'
ChemSpider 2D Image | thaixylogranin G | C29H34O9

thaixylogranin G

  • Molecular FormulaC29H34O9
  • Average mass526.575 Da
  • Monoisotopic mass526.220276 Da
  • ChemSpider ID63002522

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

[(1R,2S,5R,6R,13S,14R,16S)-14-Acétoxy-6-(3-furyl)-1,5,15,15-tétraméthyl-8,17-dioxo-7-oxatétracyclo[11.3.1.02,11.05,10]heptadéca-9,11-dién-16-yl](hydroxy)acétate de méthyle [French] [ACD/IUPAC Name]
7,11-Methano-2H-cycloocta[3,4]benzo[1,2-c]pyran-8-acetic acid, 10-(acetyloxy)-4-(3-furanyl)-4,4a,5,6,6a,7,8,9,10,11-decahydro-α-hydroxy-4a,7,9,9-tetramethyl-2,13-dioxo-, methyl ester, (4R,4aR,6aS, 7R,8S,10R,11S)- [ACD/Index Name]
Methyl [(1R,2S,5R,6R,13S,14R,16S)-14-acetoxy-6-(3-furyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadeca-9,11-dien-16-yl](hydroxy)acetate [ACD/IUPAC Name]
Methyl-[(1R,2S,5R,6R,13S,14R,16S)-14-acetoxy-6-(3-furyl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadeca-9,11-dien-16-yl](hydroxy)acetat [German] [ACD/IUPAC Name]
thaixylogranin G

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

Density: 1.3±0.1 g/cm3
Boiling Point: 678.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 364.2±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 133.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 112.74
ACD/KOC (pH 5.5): 1024.42
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 112.74
ACD/KOC (pH 7.4): 1024.41
Polar Surface Area: 129 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 398.3±5.0 cm3

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