Found 60 results

Search term: MF = 'C_{32}H_{42}O_{10}'
ChemSpider 2D Image | trichanolide | C32H42O10

trichanolide

  • Molecular FormulaC32H42O10
  • Average mass586.670 Da
  • Monoisotopic mass586.277771 Da
  • ChemSpider ID30785577

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(1S,2R,4S,5R,9R,10R,13R,14S,15S,17S)-9-(3-Furyl)-1-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadec-17-yl 2-methylbutanoat 
e [ACD/IUPAC Name]
(1S,2R,4S,5R,9R,10R,13R,14S,15S,17S)-9-(3-Furyl)-1-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadec-17-yl-2-methylbutanoat [German] [ACD/IUPAC Name]
2-Méthylbutanoate de (1S,2R,4S,5R,9R,10R,13R,14S,15S,17S)-9-(3-furyl)-1-hydroxy-15-(2-méthoxy-2-oxoéthyl)-10,14,16,16-tétraméthyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadéc-1 ;7-yle [French] [ACD/IUPAC Name]
7,11-Methano-2H,4H-oxireno[1,8]cycloocta[1,2-f][2]benzopyran-8-acetic acid, 4-(3-furanyl)dodecahydro-11-hydroxy-4a,7,9,9-tetramethyl-10-(2-methyl-1-oxobutoxy)-2,13-dioxo-, methyl ester, (4R,4aR,6aR,7S ,8S,10S,11S,11aR,12aS,12bR)- [ACD/Index Name]
trichanolide
(4R,4aR,6aR,7S,8S,10S,11S,11aR,12aS,12bR)-4-(furan-3-yl)-11-hydroxy-8-(2-methoxy-2-oxoethyl)-4a,7,9,9-tetramethyl-2,13-dioxododecahydro-2H,4H-7,11-methanooxireno[1,8]cycloocta[1,2-f]isochromen-10-yl 2
(4R,4aR,6aR,7S,8S,10S,11S,11aR,12aS,12bR)-4-(furan-3-yl)-11-hydroxy-8-(2-methoxy-2-oxoethyl)-4a,7,9,9-tetramethyl-2,13-dioxododecahydro-2H,4H-7,11-methanooxireno[1,8]cycloocta[1,2-f]isochromen-10-yl 2-methylbutanoate
-methylbutanoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 683.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 367.4±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 147.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 343.26
ACD/KOC (pH 5.5): 2273.04
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 343.16
ACD/KOC (pH 7.4): 2272.38
Polar Surface Area: 142 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 448.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement