Found 51 results

Search term: MF = 'C_{31}H_{40}O_{10}'
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-10-en-14-yl 2-methylpropanoat e | C31H40O10

(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-10-en-14-yl 2-methylpropanoat e

  • Molecular FormulaC31H40O10
  • Average mass572.643 Da
  • Monoisotopic mass572.262146 Da
  • ChemSpider ID29214882

  • defined stereocentres - 8 of 8 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-10-en-14-yl 2-methylpropanoat e [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-10-en-14-yl-2-methylpropanoat [German] [ACD/IUPAC Name]
2-Méthylpropanoate 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-10-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,7,8,9,10,11,12-dodecahydro-α,11-dihydroxy-4a,7,9,9-tetramethyl-10-(2-methyl-1-oxopropoxy)-2,13-dioxo-, me thyl ester, (αR,4R,4aR,6aS,7R,8S,10S,11R)- [ACD/Index Name]
moluccensin R

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

Density: 1.3±0.1 g/cm3
Boiling Point: 688.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 370.2±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 144.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.14
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 164.49
ACD/KOC (pH 5.5): 1342.49
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 164.47
ACD/KOC (pH 7.4): 1342.35
Polar Surface Area: 150 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 434.7±5.0 cm3

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