ChemSpider 2D Image | [(1R,11R,12R,15R)-11-(3,4,5-Trimethoxyphenyl)-5,7,14-trioxatetracyclo[10.2.1.0~2,10~.0~4,8~]pentadeca-2(10),3,8-trien-15-yl]methanol | C22H24O7

[(1R,11R,12R,15R)-11-(3,4,5-Trimethoxyphenyl)-5,7,14-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2(10),3,8-trien-15-yl]methanol

  • Molecular FormulaC22H24O7
  • Average mass400.422 Da
  • Monoisotopic mass400.152191 Da
  • ChemSpider ID23116800

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(1R,11R,12R,15R)-11-(3,4,5-Trimethoxyphenyl)-5,7,14-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2(10),3,8-trien-15-yl]methanol [German] [ACD/IUPAC Name]
[(1R,11R,12R,15R)-11-(3,4,5-Trimethoxyphenyl)-5,7,14-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2(10),3,8-trien-15-yl]methanol [ACD/IUPAC Name]
[(1R,11R,12R,15R)-11-(3,4,5-Triméthoxyphényl)-5,7,14-trioxatétracyclo[10.2.1.02,10.04,8]pentadéca-2(10),3,8-trién-15-yl]méthanol [French] [ACD/IUPAC Name]
5,8-Methano-1,3-dioxolo[4,5-h][2]benzoxepin-11-methanol, 5,7,8,9-tetrahydro-9-(3,4,5-trimethoxyphenyl)-, (5R,8R,9R,11R)- [ACD/Index Name]
[(1R,11R,12R,15R)-11-(3,4,5-trimethoxyphenyl)-5,7,14-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-trien-15-yl]methanol
[(5R,8R,9R,11R)-9-(3,4,5-trimethoxyphenyl)-5,7,8,9-tetrahydro-5,8-methano[1,3]dioxolo[4,5-h][2]benzoxepin-11-yl]methanol
11-(3,4,5-trimethoxyphenyl)-(1R,11R,12R,15R)-5,7,14-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-trien-15-ylmethanol
62287-47-2 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL279124/
Neoanhydropodophyllol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 533.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 276.3±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 104.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 75.23
ACD/KOC (pH 5.5): 766.86
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 75.23
ACD/KOC (pH 7.4): 766.86
Polar Surface Area: 76 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 309.7±3.0 cm3

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