ChemSpider 2D Image | pierreione B | C26H28O7

pierreione B

  • Molecular FormulaC26H28O7
  • Average mass452.496 Da
  • Monoisotopic mass452.183502 Da
  • ChemSpider ID26335496

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1292766-21-2 [RN]
2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 7-[4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-3-methoxyphenyl]-2,2-dimethyl- [ACD/Index Name]
7-{4-[(2R)-2,3-Dihydroxy-3-methylbutoxy]-3-methoxyphenyl}-2,2-dimethyl-2H,6H-pyrano[3,2-g]chromen-6-on [German] [ACD/IUPAC Name]
7-{4-[(2R)-2,3-Dihydroxy-3-methylbutoxy]-3-methoxyphenyl}-2,2-dimethyl-2H,6H-pyrano[3,2-g]chromen-6-one [ACD/IUPAC Name]
7-{4-[(2R)-2,3-Dihydroxy-3-méthylbutoxy]-3-méthoxyphényl}-2,2-diméthyl-2H,6H-pyrano[3,2-g]chromén-6-one [French] [ACD/IUPAC Name]
pierreione B
[1292766-21-2] [RN]
3-{4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-3-methoxyphenyl}-8,8-dimethyl-4H,8H-pyrano[3,2-g]chromen-4-one
3'-methoxy-4'-(2R,3-dihydroxy-3-methylbutoxyl)-3'',3''-dimethylpyrano-(6,7)-isoflavone
MFCD20275019
  • Miscellaneous

    • Chemical Class:

      A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 3', a 2R,3-dihydroxy-3-methylbutoxyl group at position 4' and a dimethylpyran ring fused across positions 6 and 7. Iso lated from Antheroporum pierrei, it exhibits antineoplastic activity. ChEBI CHEBI:68048
      A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 3', a 2R,3-dihydroxy-3-methylbutoxyl group at position 4' and a dimethylpyran; ring fused across positions 6 and 7. I solated from Antheroporum pierrei, it exhibits antineoplastic activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68048
      A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 3<apostrophe/>, a 2<stereo>R</stereo>,3-dihydroxy-3-methylbutoxyl group at position 4<apostrophe/> and a dimethylpyran ring fused across positions 6 and 7. Isolated from <ital>Antheroporum pierrei</ital>, it exhibits antineoplastic activity. ChEBI CHEBI:68048

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

Density: 1.3±0.1 g/cm3
Boiling Point: 647.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 218.5±25.0 °C
Index of Refraction: 1.595
Molar Refractivity: 121.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 384.13
ACD/KOC (pH 5.5): 2463.62
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 384.13
ACD/KOC (pH 7.4): 2463.62
Polar Surface Area: 94 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 358.3±3.0 cm3

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