ChemSpider 2D Image | (4aS,6aR,8Z,8aS,8bS,9aS,12S,12aS,14aR,14bR)-8-{[2-(Diethylamino)ethoxy]imino}-12-(3-furyl)-6,6,8a,12a-tetramethyldodecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,10(9aH)-dio ne | C32H44N2O8

(4aS,6aR,8Z,8aS,8bS,9aS,12S,12aS,14aR,14bR)-8-{[2-(Diethylamino)ethoxy]imino}-12-(3-furyl)-6,6,8a,12a-tetramethyldodecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,10(9aH)-dio ne

  • Molecular FormulaC32H44N2O8
  • Average mass584.700 Da
  • Monoisotopic mass584.309753 Da
  • ChemSpider ID34248061

  • 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

(4aS,6aR,8Z,8aS,8bS,9aS,12S,12aS,14aR,14bR)-8-{[2-(Diethylamino)ethoxy]imino}-12-(3-furyl)-6,6,8a,12a-tetramethyldodecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromen-3,10(9aH)-dion [German] [ACD/IUPAC Name]
(4aS,6aR,8Z,8aS,8bS,9aS,12S,12aS,14aR,14bR)-8-{[2-(Diethylamino)ethoxy]imino}-12-(3-furyl)-6,6,8a,12a-tetramethyldodecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,10(9aH)-dio ne [ACD/IUPAC Name]
(4aS,6aR,8Z,8aS,8bS,9aS,12S,12aS,14aR,14bR)-8-{[2-(Diéthylamino)éthoxy]imino}-12-(3-furyl)-6,6,8a,12a-tétraméthyldodécahydro-3H-oxiréno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromène-3,10(9aH)-dio ne [French] [ACD/IUPAC Name]
1H,3H-Oxireno[c]pyrano[4'',3'':2',3']furo[3',4':5,6]naphtho[1,2-d]pyran-3,8,10(6H,9aH)-trione, 12-(3-furanyl)decahydro-6,6,8a,12a-tetramethyl-, 8-[O-[2-(diethylamino)ethyl]oxime], (4aS,6aR,8Z,8aS,8bS, 9aS,12S,12aS,14aR,14bR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 717.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.7±35.7 °C
Index of Refraction: 1.641
Molar Refractivity: 150.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.66
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.42
Polar Surface Area: 112 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 50.9±7.0 dyne/cm
Molar Volume: 417.8±7.0 cm3

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