Found 78 results

Search term: MF = 'C_{29}H_{34}O_{9}'
ChemSpider 2D Image | Methyl (2S)-acetoxy[(1R,2S,5R,6R,10S,13S,16S)-6-(3-furyl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.0~2,11~.0~5,10~]heptadec-11-en-16-yl]acetate | C29H34O9

Methyl (2S)-acetoxy[(1R,2S,5R,6R,10S,13S,16S)-6-(3-furyl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-16-yl]acetate

  • Molecular FormulaC29H34O9
  • Average mass526.575 Da
  • Monoisotopic mass526.220276 Da
  • ChemSpider ID28425488

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S)-Acétoxy[(1R,2S,5R,6R,10S,13S,16S)-6-(3-furyl)-1,5,15,15-tétraméthyl-8,14,17-trioxo-7-oxatétracyclo[11.3.1.02,11.05,10]heptadéc-11-én-16-yl]acétate de méthyle [French] [ACD/IUPAC Name]
7,11-Methano-2H-cycloocta[3,4]benzo[1,2-c]pyran-8-acetic acid, α-(acetyloxy)-4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12b-dodecahydro-4a,7,9,9-tetramethyl-2,10,13-trioxo-, methyl ester, (αS,4R, 4aR,6aS,7R,8S,11S,12bS)- [ACD/Index Name]
Methyl (2S)-acetoxy[(1R,2S,5R,6R,10S,13S,16S)-6-(3-furyl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-16-yl]acetate [ACD/IUPAC Name]
Methyl-(2S)-acetoxy[(1R,2S,5R,6R,10S,13S,16S)-6-(3-furyl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-16-yl]acetat [German] [ACD/IUPAC Name]
[1220508-29-1] [RN]
1220508-29-1 [RN]
Khayaleid E
Khayalenoid E
MFCD20261041

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

Density: 1.3±0.1 g/cm3
Boiling Point: 670.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.3±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 132.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 223.97
ACD/KOC (pH 5.5): 1674.03
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 210.02
ACD/KOC (pH 7.4): 1569.79
Polar Surface Area: 126 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 404.7±5.0 cm3

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