Found 78 results

Search term: MF = 'C_{29}H_{34}O_{9}'
ChemSpider 2D Image | Methyl [(1R,2S,3S,4S,7R,8R,15S,17S,19S)-19-acetoxy-8-(3-furyl)-17-hydroxy-1,3,7-trimethyl-10-oxo-9,16-dioxapentacyclo[13.3.1.0~3,17~.0~4,13~.0~7,12~]nonadeca-11,13-dien-2-yl]acetate | C29H34O9

Methyl [(1R,2S,3S,4S,7R,8R,15S,17S,19S)-19-acetoxy-8-(3-furyl)-17-hydroxy-1,3,7-trimethyl-10-oxo-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-2-yl]acetate

  • Molecular FormulaC29H34O9
  • Average mass526.575 Da
  • Monoisotopic mass526.220276 Da
  • ChemSpider ID29215229

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(1R,2S,3S,4S,7R,8R,15S,17S,19S)-19-Acétoxy-8-(3-furyl)-17-hydroxy-1,3,7-triméthyl-10-oxo-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadéca-11,13-dién-2-yl]acétate de méthyle [French] [ACD/IUPAC Name]
6,9-Methanocyclopenta[a]pyrano[4,3-g][3]benzoxepin-10-acetic acid, 13-(acetyloxy)-1-(3-furanyl)-1,3,6,7a,8,9,10,10a,10b,11,12,12a-dodecahydro-7a-hydroxy-9,10a,12a-trimethyl-3-oxo-, methyl ester, (1R,6 S,7aS,9R,10S,10aS,10bS,12aR,13S)- [ACD/Index Name]
Methyl [(1R,2S,3S,4S,7R,8R,15S,17S,19S)-19-acetoxy-8-(3-furyl)-17-hydroxy-1,3,7-trimethyl-10-oxo-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-2-yl]acetate [ACD/IUPAC Name]
Methyl-[(1R,2S,3S,4S,7R,8R,15S,17S,19S)-19-acetoxy-8-(3-furyl)-17-hydroxy-1,3,7-trimethyl-10-oxo-9,16-dioxapentacyclo[13.3.1.03,17.04,13.07,12]nonadeca-11,13-dien-2-yl]acetat [German] [ACD/IUPAC Name]
andhraxylocarpin B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 664.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 355.8±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 132.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 64.56
ACD/KOC (pH 5.5): 687.36
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 64.56
ACD/KOC (pH 7.4): 687.34
Polar Surface Area: 122 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 388.5±5.0 cm3

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