ChemSpider 2D Image | (1R,2S,5R,6R,13R,14S,16S)-6-(3-Furyl)-13-hydroxy-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 (2E)-2-methyl-2-b utenoate | C32H40O10

(1R,2S,5R,6R,13R,14S,16S)-6-(3-Furyl)-13-hydroxy-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 (2E)-2-methyl-2-b utenoate

  • Molecular FormulaC32H40O10
  • Average mass584.654 Da
  • Monoisotopic mass584.262146 Da
  • ChemSpider ID8778772

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(1R,2S,5R,6R,13R,14S,16S)-6-(3-Furyl)-13-hydroxy-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 (2E)-2-methyl-2-b utenoate [ACD/IUPAC Name]
(1R,2S,5R,6R,13R,14S,16S)-6-(3-Furyl)-13-hydroxy-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-(2E)-2-methyl-2-b utenoat [German] [ACD/IUPAC Name]
(2E)-2-Méthyl-2-buténoate de (1R,2S,5R,6R,13R,14S,16S)-6-(3-furyl)-13-hydroxy-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-14-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,11-dihydroxy-4a,7,9,9-tetramethyl-10-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy ]-2,13-dioxo-, methyl ester, (αR,4R,4aR,6aS,7R,8S,10S,11R)- [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: 719.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 388.9±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 148.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 332.68
ACD/KOC (pH 5.5): 2222.67
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 332.57
ACD/KOC (pH 7.4): 2221.88
Polar Surface Area: 150 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 444.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement