ChemSpider 2D Image | (2S,3R,9R,12S,14R,16S,20S)-3,8,8,14-Tetramethyl-21-methylene-7,18-dioxahexacyclo[12.7.1.0~2,12~.0~3,9~.0~12,20~.0~16,20~]docos-4-ene-6,17,22-trione | C25H30O5

(2S,3R,9R,12S,14R,16S,20S)-3,8,8,14-Tetramethyl-21-methylene-7,18-dioxahexacyclo[12.7.1.02,12.03,9.012,20.016,20]docos-4-ene-6,17,22-trione

  • Molecular FormulaC25H30O5
  • Average mass410.503 Da
  • Monoisotopic mass410.209320 Da
  • ChemSpider ID58837612

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(2S,3R,9R,12S,14R,16S,20S)-3,8,8,14-Tetramethyl-21-methylen-7,18-dioxahexacyclo[12.7.1.02,12.03,9.012,20.016,20]docos-4-en-6,17,22-trion [German] [ACD/IUPAC Name]
(2S,3R,9R,12S,14R,16S,20S)-3,8,8,14-Tetramethyl-21-methylene-7,18-dioxahexacyclo[12.7.1.02,12.03,9.012,20.016,20]docos-4-ene-6,17,22-trione [ACD/IUPAC Name]
(2S,3R,9R,12S,14R,16S,20S)-3,8,8,14-Tétraméthyl-21-méthylène-7,18-dioxahexacyclo[12.7.1.02,12.03,9.012,20.016,20]docos-4-ène-6,17,22-trione [French] [ACD/IUPAC Name]
9,15-Methano-3H,11H,13H-oxepino[4',3':4,5]indeno[1,7a-d]isobenzofuran-3,11,16-trione, 5,5a,6,7,8,9,10,10a,14,15,15a,15b-dodecahydro-5,5,9,15b-tetramethyl-14-methylene-, (5aR,7aS,9R,10aS,13aS,15aS,15bR )- [ACD/Index Name]
anditomin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 607.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.3±3.0 kJ/mol
Flash Point: 263.4±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 108.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.63
ACD/KOC (pH 5.5): 561.20
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.63
ACD/KOC (pH 7.4): 561.20
Polar Surface Area: 70 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 321.5±5.0 cm3

Click to predict properties on the Chemicalize site


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