ChemSpider 2D Image | (3aS,8aR,13bR,13cS)-6-(6-Hydroxy-1-benzofuran-2-yl)-8a-(5-hydroxy-2,2-dimethyl-2H-chromen-8-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3aH-benzo[3,4]isochromeno[1,8-bc]chromene-4,11-diol | C39H32O8

(3aS,8aR,13bR,13cS)-6-(6-Hydroxy-1-benzofuran-2-yl)-8a-(5-hydroxy-2,2-dimethyl-2H-chromen-8-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3aH-benzo[3,4]isochromeno[1,8-bc]chromene-4,11-diol

  • Molecular FormulaC39H32O8
  • Average mass628.667 Da
  • Monoisotopic mass628.209717 Da
  • ChemSpider ID24689819
  • defined stereocentres - 4 of 4 defined stereocentres


More details:



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(3aS,8aR,13bR,13cS)-6-(6-Hydroxy-1-benzofuran-2-yl)-8a-(5-hydroxy-2,2-dimethyl-2H-chromen-8-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3aH-benzo[3,4]isochromeno[1,8-bc]chromen-4,11-diol [German] [ACD/IUPAC Name]
(3aS,8aR,13bR,13cS)-6-(6-Hydroxy-1-benzofuran-2-yl)-8a-(5-hydroxy-2,2-dimethyl-2H-chromen-8-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3aH-benzo[3,4]isochromeno[1,8-bc]chromene-4,11-diol [ACD/IUPAC Name]
(3aS,8aR,13bR,13cS)-6-(6-Hydroxy-1-benzofuran-2-yl)-8a-(5-hydroxy-2,2-diméthyl-2H-chromén-8-yl)-2-méthyl-1,8a,13b,13c-tétrahydro-3aH-benzo[3,4]isochroméno[1,8-bc]chromène-4,11-diol [French] [ACD/IUPAC Name]
1067461-19-1 [RN]
3aH-Benzo[3,4][2]benzopyrano[1,8-bc][1]benzopyran-4,11-diol, 1,8a,13b,13c-tetrahydro-6-(6-hydroxy-2-benzofuranyl)-8a-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-2-methyl-, (3aS,8aR,13bR,13cS)-
3aH-Benzo[c][1]benzopyrano[4,3,2-ij][2]benzopyran-4,11-diol, 1,8a,13b,13c-tetrahydro-6-(6-hydroxy-2-benzofuranyl)-8a-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-2-methyl-, (3aS,8aR,13bR,13cS)- [ACD/Index Name]
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66514
sorocenol G
  • Miscellaneous
    • Chemical Class:

      An organic heteropentacyclic compound isolated from <ital>Sorocea muriculata</ital> and has been shown to exhibit antibacterial activity against methicillin-resistant <ital>Staphylococcus aureus</ital >. ChEBI CHEBI:66514
      An organic heteropentacyclic compound isolated from Sorocea muriculata and has been shown to exhibit antibacterial activity against methicillin-resistant Staphylococcus aureus. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66514

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.702
Molar Refractivity: 174.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 9.75
ACD/LogD (pH 5.5): 8.91
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1674098.88
ACD/LogD (pH 7.4): 8.88
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1553653.88
Polar Surface Area: 122 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 450.1±3.0 cm3

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