ChemSpider 2D Image | isochamaejasmenin B | C32H26O10

isochamaejasmenin B

  • Molecular FormulaC32H26O10
  • Average mass570.543 Da
  • Monoisotopic mass570.152588 Da
  • ChemSpider ID9928108

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2R,2'S,3R,3'S)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-methoxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,3'-bichromen-4,4'-dion [German] [ACD/IUPAC Name]
(2R,2'S,3R,3'S)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-methoxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,3'-bichromene-4,4'-dione [ACD/IUPAC Name]
(2R,2'S,3R,3'S)-5,5',7,7'-Tétrahydroxy-2,2'-bis(4-méthoxyphényl)-2,2',3,3'-tétrahydro-4H,4'H-3,3'-bichromène-4,4'-dione [French] [ACD/IUPAC Name]
[3,3'-Bi-2H-1-benzopyran]-4,4'(3H,3'H)-dione, 5,5',7,7'-tetrahydroxy-2,2'-bis(4-methoxyphenyl)-, (2R,2'S,3R,3'S)- [ACD/Index Name]
isochamaejasmenin B
(2R*,2'S*,3R*,3'S*)-5,5',7,7'-tetrahydroxy-2,2'-bis(4-methoxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,3'-bichromene-4,4'-dione
(2S,3S)-3-[(2R,3R)-5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
865852-48-8 [RN]
meso- 2,2',3,3'-tetrahydro-5,5',7',7-tetrahydroxy-2,2'-bis(4-methoxyphenyl)-[3,3'-bi-4H-1-benzopyran]-4,4'-dione
rel-(2S,3S)-3-[(2R,3R)-5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
  • Miscellaneous

    • Chemical Class:

      A biflavonoid that consists of two units of 5,7-dihydroxy-4'-methoxyflavanone attached at the C-3 position (the <stereo>meso</stereo>-isomer). Isolated from <ital>Stellera chamaejasme</ital>, it exhib its antimitotic and antifungal activity. ChEBI CHEBI:66091
      A biflavonoid that consists of two units of 5,7-dihydroxy-4'-methoxyflavanone attached at the C-3 position (the meso-isomer). Isolated from Stellera chamaejasme, it exhib; its antimitotic and antifung al activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66091
      A biflavonoid that consists of two units of 5,7-dihydroxy-4'-methoxyflavanone attached at the C-3 position (the meso-isomer). Isolated from Stellera chamaejasme, it exhibits antimitotic and antifungal activity. ChEBI CHEBI:66091

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

Density: 1.5±0.1 g/cm3
Boiling Point: 873.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.3±3.0 kJ/mol
Flash Point: 289.0±27.8 °C
Index of Refraction: 1.681
Molar Refractivity: 148.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 24044.50
ACD/KOC (pH 5.5): 46985.59
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 3000.64
ACD/KOC (pH 7.4): 5863.58
Polar Surface Area: 152 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 391.3±3.0 cm3

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