ChemSpider 2D Image | (1R,2S,5R,6R,10S,13S,14R,16S)-6-(3-Furyl)-16-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0~2,11~.0~5,10~]heptadec-11-en-14-yl (2Z)-2-methyl-2-butenoat e | C32H40O9

(1R,2S,5R,6R,10S,13S,14R,16S)-6-(3-Furyl)-16-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl (2Z)-2-methyl-2-butenoat e

  • Molecular FormulaC32H40O9
  • Average mass568.655 Da
  • Monoisotopic mass568.267212 Da
  • ChemSpider ID30654718

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,2S,5R,6R,10S,13S,14R,16S)-6-(3-Furyl)-16-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl (2Z)-2-methyl-2-butenoat e [ACD/IUPAC Name]
(1R,2S,5R,6R,10S,13S,14R,16S)-6-(3-Furyl)-16-[(1R)-1-hydroxy-2-methoxy-2-oxoethyl]-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-14-yl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(2Z)-2-Méthyl-2-buténoate de (1R,2S,5R,6R,10S,13S,14R,16S)-6-(3-furyl)-16-[(1R)-1-hydroxy-2-méthoxy-2-oxoéthyl]-1,5,15,15-tétraméthyl-8,17-dioxo-7-oxatétracyclo[11.3.1.02,11.05,10]heptadéc-11-én-1
 4-yle [French] [ACD/IUPAC Name]
7,11-Methano-2H-cycloocta[3,4]benzo[1,2-c]pyran-8-acetic acid, 4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12b-dodecahydro-α-hydroxy-4a,7,9,9-tetramethyl-10-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-2,1 3-dioxo-, methyl ester, (αR,4R,4aR,6aS,7R,8S,10R,11S,12bS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 689.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 370.6±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: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 1006.35
ACD/KOC (pH 5.5): 4908.73
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 1006.35
ACD/KOC (pH 7.4): 4908.69
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

Click to predict properties on the Chemicalize site


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