Found 78 results

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

sundarbanxylogranin B

  • Molecular FormulaC29H34O9
  • Average mass526.575 Da
  • Monoisotopic mass526.220276 Da
  • ChemSpider ID62429272

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(1R,2R,4R,9R,10R,13R,14S,15S,17R)-17-Acétoxy-9-(3-furyl)-10,14,16,16-tétraméthyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadéc-5-én-15-yl]acétate de méthyle [French] [ACD/IUPAC Name]
7,11-Methano-2H,4H-oxireno[1,8]cycloocta[1,2-f][2]benzopyran-8-acetic acid, 10-(acetyloxy)-4-(3-furanyl)-4a,5,6,6a,7,8,9,10,11,11a-decahydro-4a,7,9,9-tetramethyl-2,13-dioxo-, methyl ester, (4R,4aR,6aR ,7S,8S,10R,11R,11aR,12aR)- [ACD/Index Name]
Methyl [(1R,2R,4R,9R,10R,13R,14S,15S,17R)-17-acetoxy-9-(3-furyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadec-5-en-15-yl]acetate [ACD/IUPAC Name]
Methyl-[(1R,2R,4R,9R,10R,13R,14S,15S,17R)-17-acetoxy-9-(3-furyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadec-5-en-15-yl]acetat [German] [ACD/IUPAC Name]
sundarbanxylogranin B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.6±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 131.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 226.37
ACD/KOC (pH 5.5): 1687.27
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 226.37
ACD/KOC (pH 7.4): 1687.27
Polar Surface Area: 122 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 395.5±5.0 cm3

Click to predict properties on the Chemicalize site


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