ChemSpider 2D Image | kanzonol P | C22H24O5

kanzonol P

  • Molecular FormulaC22H24O5
  • Average mass368.423 Da
  • Monoisotopic mass368.162384 Da
  • ChemSpider ID30786412

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aR,11aR)-1,3-Dimethoxy-2-(3-methyl-2-buten-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol [German] [ACD/IUPAC Name]
(6aR,11aR)-1,3-Dimethoxy-2-(3-methyl-2-buten-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol [ACD/IUPAC Name]
(6aR,11aR)-1,3-Diméthoxy-2-(3-méthyl-2-butén-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromén-9-ol [French] [ACD/IUPAC Name]
(6aR,11aR)-6a,11a-Dihydro-1,3-dimethoxy-2-(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-9-ol
156250-72-5 [RN]
6H-Benzofuro[3,2-c][1]benzopyran-9-ol, 6a,11a-dihydro-1,3-dimethoxy-2-(3-methyl-2-buten-1-yl)-, (6aR,11aR)- [ACD/Index Name]
kanzonol P
(6aR,11aR)-1,3-dimethoxy-2-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol
(6aR,11aR)-9-hydroxy-1,3-dimethoxy-2-prenhylpterocarpan
9-hydroxy-1,3-dimethoxy-2-prenylpterocarpan

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

3FU3I4IW5K [DBID]
UNII:3FU3I4IW5K [DBID]
  • Miscellaneous

    • Chemical Class:

      A member of the class of pterocarpans that is (6a<stereo>R</stereo>,11a<stereo>R</stereo>)-pterocarpan substituted by a hydroxy group at position 9, methoxy groups at position 1 and 3 and a prenyl gro up at position 2. It has been isolated from <ital>Glycyrrhiza uralensis</ital>. ChEBI CHEBI:69097
      A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by a hydroxy group at position 9, methoxy groups at position 1 and 3 and a prenyl gro; up at position 2. It has been is olated from Glycyrrhiza uralensis. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:69097
      A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by a hydroxy group at position 9, methoxy groups at position 1 and 3 and a prenyl group at position 2. It has been isol ated from Glycyrrhiza uralensis. ChEBI CHEBI:69097

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

Density: 1.2±0.1 g/cm3
Boiling Point: 486.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 247.7±28.7 °C
Index of Refraction: 1.591
Molar Refractivity: 102.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1180.18
ACD/KOC (pH 5.5): 5501.60
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1172.84
ACD/KOC (pH 7.4): 5467.38
Polar Surface Area: 57 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 304.6±3.0 cm3

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