ChemSpider 2D Image | (3aR,8aS,13bR,13cS)-8a-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-6-(6-hydroxy-1-benzofuran-2-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3aH-benzo[3,4]isochromeno[1,8-bc]chromene-4,11-diol | C39H34O8

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

  • Molecular FormulaC39H34O8
  • Average mass630.682 Da
  • Monoisotopic mass630.225342 Da
  • ChemSpider ID2342954
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(3aR,8aS,13bR,13cS)-8a-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-6-(6-hydroxy-1-benzofuran-2-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3aH-benzo[3,4]isochromeno[1,8-bc]chromen-4,11-diol [German] [ACD/IUPAC Name]
(3aR,8aS,13bR,13cS)-8a-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-6-(6-hydroxy-1-benzofuran-2-yl)-2-methyl-1,8a,13b,13c-tetrahydro-3aH-benzo[3,4]isochromeno[1,8-bc]chromene-4,11-diol [ACD/IUPAC Name]
(3aR,8aS,13bR,13cS)-8a-[2,4-Dihydroxy-3-(3-méthyl-2-butén-1-yl)phényl]-6-(6-hydroxy-1-benzofuran-2-yl)-2-méthyl-1,8a,13b,13c-tétrahydro-3aH-benzo[3,4]isochroméno[1,8-bc]chromène-4,11-diol [French] [ACD/IUPAC Name]
3aH-Benzo[c][1]benzopyrano[4,3,2-ij][2]benzopyran-4,11-diol, 8a-[2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-1,8a,13b,13c-tetrahydro-6-(6-hydroxy-2-benzofuranyl)-2-methyl-, (3aR,8aS,13bR,13cS)- [ACD/Index Name]
3aH-Benzo(3,4)(2)benzopyrano(1,8-bc)(1)benzopyran-4,11-diol, 8a-(2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl)-1,8a,13b,13c-tetrahydro-6-(6-hydroxy-2-benzofuranyl)-2-methyl-, (3aR-(3aα,8aα,13bβ,13cα))-
89200-00-0 [RN]
Mulberrofuran F

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

Density: 1.4±0.1 g/cm3
Boiling Point: 740.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 401.4±32.9 °C
Index of Refraction: 1.706
Molar Refractivity: 176.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 8.84
ACD/LogD (pH 5.5): 8.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 751714.38
ACD/LogD (pH 7.4): 8.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 701763.75
Polar Surface Area: 133 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 454.7±3.0 cm3

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