Found 19 results

Search term: MF = 'C_{26}H_{38}O_{11}'
ChemSpider 2D Image | Dimethyl (2aR,3S,4S,4aS,5S,7aS,8S,10R,10aS,10bR)-3,5,10-trihydroxy-4-isopropyl-4-methyl-8-{[(2E)-2-methyl-2-butenoyl]oxy}octahydro-1H-furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(8H)-dicarboxylate | C26H38O11

Dimethyl (2aR,3S,4S,4aS,5S,7aS,8S,10R,10aS,10bR)-3,5,10-trihydroxy-4-isopropyl-4-methyl-8-{[(2E)-2-methyl-2-butenoyl]oxy}octahydro-1H-furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(8H)-dicarboxylate

  • Molecular FormulaC26H38O11
  • Average mass526.573 Da
  • Monoisotopic mass526.241394 Da
  • ChemSpider ID71048270

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(2aR,3S,4S,4aS,5S,7aS,8S,10R,10aS,10bR)-3,5,10-Trihydroxy-4-isopropyl-4-méthyl-8-{[(2E)-2-méthyl-2-butenoyl]oxy}octahydro-1H-furo[3',4':4,4a]naphto[1,8-bc]furane-5,10a(8H)-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
1H,7H-Naphtho[1,8a-c:4,5-b'c']difuran-5,10a(8H)-dicarboxylic acid, octahydro-3,5,10-trihydroxy-4-methyl-4-(1-methylethyl)-8-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-, dimethyl ester, (2aR,3S,4S,4aS,5S, 7aS,8S,10R,10aS,10bR)- [ACD/Index Name]
Dimethyl (2aR,3S,4S,4aS,5S,7aS,8S,10R,10aS,10bR)-3,5,10-trihydroxy-4-isopropyl-4-methyl-8-{[(2E)-2-methyl-2-butenoyl]oxy}octahydro-1H-furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(8H)-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(2aR,3S,4S,4aS,5S,7aS,8S,10R,10aS,10bR)-3,5,10-trihydroxy-4-isopropyl-4-methyl-8-{[(2E)-2-methyl-2-butenoyl]oxy}octahydro-1H-furo[3',4':4,4a]naphtho[1,8-bc]furan-5,10a(8H)-dicarboxylat [German] [ACD/IUPAC Name]
3-Deacetyl-azadirachtinA

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

Density: 1.3±0.1 g/cm3
Boiling Point: 622.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.7±6.0 kJ/mol
Flash Point: 200.1±25.0 °C
Index of Refraction: 1.566
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.90
ACD/KOC (pH 5.5): 376.99
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.81
ACD/KOC (pH 7.4): 375.79
Polar Surface Area: 158 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 391.0±5.0 cm3

Click to predict properties on the Chemicalize site


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