ChemSpider 2D Image | Schilancitrilactone B | C27H34O8

Schilancitrilactone B

  • Molecular FormulaC27H34O8
  • Average mass486.554 Da
  • Monoisotopic mass486.225372 Da
  • ChemSpider ID30651789

  • 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

(3aR,3bR,4aS,5aS,8aR,10aR,10bS,11aR)-4a-Hydroxy-3a,8,8-trimethyl-11a-[(1Z,2R)-1-(4-methyl-5-oxo-2(5H)-furanyliden)-2-propanyl]dodecahydrofuro[3',4':5,6]azuleno[1,2-b]furo[3,2-d]furan-2,6(3H,3bH)-dion [German] [ACD/IUPAC Name]
(3aR,3bR,4aS,5aS,8aR,10aR,10bS,11aR)-4a-Hydroxy-3a,8,8-trimethyl-11a-[(1Z,2R)-1-(4-methyl-5-oxo-2(5H)-furanylidene)-2-propanyl]dodecahydrofuro[3',4':5,6]azuleno[1,2-b]furo[3,2-d]furan-2,6(3H,3bH)-dion e [ACD/IUPAC Name]
(3aR,3bR,4aS,5aS,8aR,10aR,10bS,11aR)-4a-Hydroxy-3a,8,8-triméthyl-11a-[(1Z,2R)-1-(4-méthyl-5-oxo-2(5H)-furanylidène)-2-propanyl]dodécahydrofuro[3',4':5,6]azuléno[1,2-b]furo[3,2-d]furane-2,6(3H,3bH)-dio ne [French] [ACD/IUPAC Name]
Furo[3',4':5,6]azuleno[1,2-b]furo[3,2-d]furan-2,6(3H,3bH)-dione, dodecahydro-4a-hydroxy-3a,8,8-trimethyl-11a-[(1R,2Z)-1-methyl-2-(4-methyl-5-oxo-2(5H)-furanylidene)ethyl]-, (3aR,3bR,4aS,5aS,8aR,10aR,1 0bS,11aR)- [ACD/Index Name]
Schilancitrilactone B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 701.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.4±6.0 kJ/mol
Flash Point: 235.8±26.4 °C
Index of Refraction: 1.602
Molar Refractivity: 124.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 3.70
ACD/KOC (pH 5.5): 88.81
ACD/LogD (pH 7.4): 1.05
ACD/BCF (pH 7.4): 3.70
ACD/KOC (pH 7.4): 88.81
Polar Surface Area: 108 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 362.2±3.0 cm3

Click to predict properties on the Chemicalize site


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