ChemSpider 2D Image | Dicerandrol B | C36H36O15

Dicerandrol B

  • Molecular FormulaC36H36O15
  • Average mass708.662 Da
  • Monoisotopic mass708.205444 Da
  • ChemSpider ID10213917
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

(5R,5'R,6R,6'R,10aR,10a'R)-10a-(Acetoxymethyl)-1,1',8,8'-tetrahydroxy-10a'-(hydroxymethyl)-6,6'-dimethyl-9,9'-dioxo-5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-2,2'-bixanthen-5,5'-diyl-diacetat [German] [ACD/IUPAC Name]
(5R,5'R,6R,6'R,10aR,10a'R)-10a-(Acetoxymethyl)-1,1',8,8'-tetrahydroxy-10a'-(hydroxymethyl)-6,6'-dimethyl-9,9'-dioxo-5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-2,2'-bixanthene-5,5'-diyl diacetate [ACD/IUPAC Name]
[7,7'-Bi-3H-xanthene]-9,9'(2H,2'H)-dione, 4,4'-bis(acetyloxy)-4a-[(acetyloxy)methyl]-4,4',4a,4'a-tetrahydro-1,1',8,8'-tetrahydroxy-4'a-(hydroxymethyl)-3,3'-dimethyl-, (3R,3'R,4R,4'R,4aR,4a'R)- [ACD/Index Name]
Diacétate de (5R,5'R,6R,6'R,10aR,10a'R)-10a-(acétoxyméthyl)-1,1',8,8'-tétrahydroxy-10a'-(hydroxyméthyl)-6,6'-diméthyl-9,9'-dioxo-5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-2,2'-bixanthène-5,5'-diyle [French] [ACD/IUPAC Name]
Dicerandrol B
(5R,5'R,6R,6'R,10aR,10a'R)-10a-[(acetyloxy)methyl]-1,1',8,8'-tetrahydroxy-10a'-(hydroxymethyl)-6,6'-dimethyl-9,9'-dioxo-5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-2,2'-bixanthene-5,5'-diyl diacetate
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65765
  • Miscellaneous
    • Chemical Class:

      A biaryl that is 5,5',7,7',9,9',10a,10a'-octahydro-6<element>H</element>,6'<element>H</element>-2,2'-bixanthene substituted by acetyloxy groups at C-5 and C-5', (acetyloxy)methyl group at C-10a, hydro xy groups at C-1, C-1', C-8 and C-8', hydroxymethyl group at C-10a', methyl groups at C-6 and C-6' and oxo groups at C-9 and C-9' respectively. A dimeric tetrahydroxanthone derivative isolated from <i tal>Phomopsis longicolla</ital>, it exhibits antibacterial and cytotoxic activities. ChEBI CHEBI:65765
      A biaryl that is 5,5',7,7',9,9',10a,10a'-octahydro-6H,6'H-2,2'-bixanthene substituted by acetyloxy groups at C-5 and C-5', (acetyloxy)methyl group at C-10a, hydro; xy groups at C-1, C-1', C-8 and C-8' , hydroxymethyl group at C-10a', methyl groups at C-6 and C-6' and oxo groups at C-9 and C-9' respectively. A dimeric tetrahydroxanthone derivative isolated from Phomopsis longicolla, it exhibits anti bacterial and cytotoxic activities. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65765

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

Density: 1.6±0.1 g/cm3
Boiling Point: 867.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.2±3.0 kJ/mol
Flash Point: 271.3±27.8 °C
Index of Refraction: 1.680
Molar Refractivity: 170.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 76.80
ACD/KOC (pH 5.5): 270.85
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 233 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 85.2±5.0 dyne/cm
Molar Volume: 450.3±5.0 cm3

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