ChemSpider 2D Image | lespeflorin B4 | C30H36O6

lespeflorin B4

  • Molecular FormulaC30H36O6
  • Average mass492.603 Da
  • Monoisotopic mass492.251190 Da
  • ChemSpider ID24627046

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3R)-2,3-Dihydro-3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-6,8-bis(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
(2R,3R)-3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-6,8-bis(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2R,3R)-3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-6,8-bis(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2R,3R)-3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-méthyl-2-butén-1-yl)phényl]-6,8-bis(3-méthyl-2-butén-1-yl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
1108717-56-1 [RN]
4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-6,8-bis(3-methyl-2-buten-1-yl)-, (2R,3R)- [ACD/Index Name]
lespeflorin B4
(2R,3R)-3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-6,8-bis(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one
  • Miscellaneous

    • Chemical Class:

      A trihydroxyflavanone that is (2<stereo>S</stereo>)-flavanone substituted by hydroxy groups at positions 3, 5, 7 and 4' and prenyl groups at positions 6, 8 and 3'. Isolated from the roots of <ital>Les pedeza floribunda</ital>, it acts as a melanin synthesis inhibitor. ChEBI CHEBI:66563
      A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 3, 5, 7 and 4' and prenyl groups at positions 6, 8 and 3'. Isolated from the roots of Les; pedeza floribunda, it acts as a melanin synthesis inhibitor. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66563
      A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 3, 5, 7 and 4' and prenyl groups at positions 6, 8 and 3'. Isolated from the roots of Lespedeza floribunda, it a cts as a melanin synthesis inhibitor. ChEBI CHEBI:66563

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

Density: 1.2±0.1 g/cm3
Boiling Point: 713.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 232.2±26.4 °C
Index of Refraction: 1.613
Molar Refractivity: 141.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.70
ACD/LogD (pH 5.5): 7.13
ACD/BCF (pH 5.5): 154231.75
ACD/KOC (pH 5.5): 179817.23
ACD/LogD (pH 7.4): 7.02
ACD/BCF (pH 7.4): 120345.15
ACD/KOC (pH 7.4): 140309.20
Polar Surface Area: 107 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 407.5±3.0 cm3

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