ChemSpider 2D Image | (-)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,9':7',9-diepoxylignane | C23H28O8

(-)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,9':7',9-diepoxylignane

  • Molecular FormulaC23H28O8
  • Average mass432.464 Da
  • Monoisotopic mass432.178406 Da
  • ChemSpider ID26607324

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(-)-(7R,7'R,8S,8'S)-4'-hydroxy-3,3',4,5,5'-pentamethoxy-7,9':7',9-diepoxylignane
2,6-Dimethoxy-4-[(1R,3aS,4R,6aS)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]phenol [German] [ACD/IUPAC Name]
2,6-Dimethoxy-4-[(1R,3aS,4R,6aS)-4-(3,4,5-trimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]phenol [ACD/IUPAC Name]
2,6-Diméthoxy-4-[(1R,3aS,4R,6aS)-4-(3,4,5-triméthoxyphényl)tétrahydro-1H,3H-furo[3,4-c]furan-1-yl]phénol [French] [ACD/IUPAC Name]
Phenol, 2,6-dimethoxy-4-[(1R,3aS,4R,6aS)-tetrahydro-4-(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1797774/
  • Miscellaneous

    • Chemical Class:

      A lignan that consists of tetrahydro-1<element>H</element>,3<element>H</element>-furo[3,4-<ital>c</ital>]furan substituted by 3,4,5-trimethoxyphenyl and a 4-hydroxy-3,5-dimethoxyphenyl group at positi ons 4 and 1 respectively. It has been isolated from the stems of <ital>Sinocalamus affinis</ital>. ChEBI CHEBI:67630
      A lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 3,4,5-trimethoxyphenyl and a 4-hydroxy-3,5-dimethoxyphenyl group at positi; ons 4 and 1 respectively. It has been isolated fr om the stems of Sinocalamus affinis. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67630
      A lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 3,4,5-trimethoxyphenyl and a 4-hydroxy-3,5-dimethoxyphenyl group at positions 4 and 1 respectively. It has been isolated from the stems of Sinocalamus affinis. ChEBI CHEBI:67630

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

Density: 1.2±0.1 g/cm3
Boiling Point: 573.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 300.8±30.1 °C
Index of Refraction: 1.556
Molar Refractivity: 113.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 36.56
ACD/KOC (pH 5.5): 457.54
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.44
ACD/KOC (pH 7.4): 455.95
Polar Surface Area: 85 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 351.8±3.0 cm3

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