ChemSpider 2D Image | Procyanidin B8 | C30H26O12

Procyanidin B8

  • Molecular FormulaC30H26O12
  • Average mass578.520 Da
  • Monoisotopic mass578.142456 Da
  • ChemSpider ID416636

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,2'R,3S,3'R,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,6'-bichromen-3,3',5,5',7,7'-hexol [German] [ACD/IUPAC Name]
(2R,2'R,3S,3'R,4R)-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,6'-bichromene-3,3',5,5',7,7'-hexol [ACD/IUPAC Name]
(2R,2'R,3S,3'R,4R)-2,2'-Bis(3,4-dihydroxyphényl)-3,3',4,4'-tétrahydro-2H,2'H-4,6'-bichromène-3,3',5,5',7,7'-hexol [French] [ACD/IUPAC Name]
[4,6'-Bi-2H-1-benzopyran]-3,3',5,5',7,7'-hexol, 2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-, (2R,2'R,3S,3'R,4R)- [ACD/Index Name]
12798-60-6 [RN]
Procyanidin B8 [Wiki]
catechin-(4α->6)-epicatechin
Catechin-(4α-->6)epicatechin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL451115/
Procyanidin B7

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

AIDS082358 [DBID]
AIDS-082358 [DBID]
  • Miscellaneous

    • Chemical Class:

      A proanthocyanidin that is (+)-catechin and (-)-epicatechin units joined by a bond between positions 4 and 6' respectively in an alpha-configuration. Procyanidin B8 is found in acorn and is present in fruit and leaves of blackberry (Rubus fruticosus), raspberry (Rubus idaeus) and cowberry (Vaccinium vitis idaea). It can be also found in grape seeds and in beer. ChEBI CHEBI:75618
      A proanthocyanidin that is (+)-catechin and (-)-epicatechin units joined by a bond between positions 4 and 6' respectively in an alpha-configuration. Procyanidin B8 is found in; acorn and is present in fruit and leaves of blackberry (Rubus fruticosus), raspberry (Rubus idaeus) and cowberry (Vaccinium vitis idaea). It can be also found i; n grape seeds and in beer. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75618
      A proanthocyanidin that is (+)-catechin and (<minus/>)-epicatechin units joined by a bond between positions 4 and 6' respectively in an <stereo>alpha</stereo>-configuration. Procyanidin B8 is found in acorn and is present in fruit and leaves of blackberry (<ital>Rubus fruticosus</ital>), raspberry (<ital>Rubus idaeus</ital>) and cowberry (<ital>Vaccinium vitis idaea</ital>). It can be also found i n grape seeds and in beer. ChEBI CHEBI:75618

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1009.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 154.4±3.0 kJ/mol
Flash Point: 564.4±34.3 °C
Index of Refraction: 1.803
Molar Refractivity: 145.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 10
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 0.30
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.22
ACD/KOC (pH 5.5): 80.31
ACD/LogD (pH 7.4): 0.96
ACD/BCF (pH 7.4): 3.18
ACD/KOC (pH 7.4): 79.30
Polar Surface Area: 221 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 103.8±3.0 dyne/cm
Molar Volume: 339.1±3.0 cm3

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