ChemSpider 2D Image | (3R,3aR,6S,7R,7aS,10aR,13S,14R,14aS)-6,7,13,14-Tetrahydroxy-3,6,13-trimethyl-10-methylenedodecahydrofuro[2',3':7,8]cyclododeca[1,2-b]furan-2,9(3H,4H)-dione | C20H30O8

(3R,3aR,6S,7R,7aS,10aR,13S,14R,14aS)-6,7,13,14-Tetrahydroxy-3,6,13-trimethyl-10-methylenedodecahydrofuro[2',3':7,8]cyclododeca[1,2-b]furan-2,9(3H,4H)-dione

  • Molecular FormulaC20H30O8
  • Average mass398.447 Da
  • Monoisotopic mass398.194061 Da
  • ChemSpider ID78441057

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3R,3aR,6S,7R,7aS,10aR,13S,14R,14aS)-6,7,13,14-Tetrahydroxy-3,6,13-trimethyl-10-methylendodecahydrofuro[2',3':7,8]cyclododeca[1,2-b]furan-2,9(3H,4H)-dion [German] [ACD/IUPAC Name]
(3R,3aR,6S,7R,7aS,10aR,13S,14R,14aS)-6,7,13,14-Tetrahydroxy-3,6,13-trimethyl-10-methylenedodecahydrofuro[2',3':7,8]cyclododeca[1,2-b]furan-2,9(3H,4H)-dione [ACD/IUPAC Name]
(3R,3aR,6S,7R,7aS,10aR,13S,14R,14aS)-6,7,13,14-Tétrahydroxy-3,6,13-triméthyl-10-méthylènedodécahydrofuro[2',3':7,8]cyclododéca[1,2-b]furane-2,9(3H,4H)-dione [French] [ACD/IUPAC Name]
Cyclododeca[1,12-b:7,6-b']difuran-2,9(3H,4H)-dione, dodecahydro-6,7,13,14-tetrahydroxy-3,6,13-trimethyl-10-methylene-, (3R,3aR,6S,7R,7aS,10aR,13S,14R,14aS)- [ACD/Index Name]
Eryngiolide A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 628.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.6±6.0 kJ/mol
Flash Point: 219.7±25.0 °C
Index of Refraction: 1.573
Molar Refractivity: 97.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.20
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.99
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.99
Polar Surface Area: 134 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 296.8±5.0 cm3

Click to predict properties on the Chemicalize site


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