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  2. 487-41-2
Phillyrin | 487-41-2

Product name:Phillyrin

CAS No:487-41-2
MF:C27H34O11
MW:534.5523
MDL:MFCD29505477
CID:37721
PubChem ID:329825013
Introduction
Phillyrin is isolated from Forsythia suspensa and has antibacterial and anti-inflammatory effects Conclusion: phillyrin can potentially induce CYP1A2 and cyp2d1 in rats without affecting CYP2C11 and cyp3a1 / 2 activities Phillyrin has anti influenza A virus activity
Names and Identifiers
  • phillyrin
  • 4-(4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-2-methoxyphenyl,
  • Forsythin
  • PHILLYGENIN-O-BETA-D-GLUCOPYRANOSIDE
  • PHILLYRIN(RG)
  • Phillyrin,Forsythin. Phillyroside
  • Chionanthin
  • Phillyroside
  • Phyllyrin
  • Pillyrin
  • BCP26036
  • (2S,5S)-2-[4-[(3R,3Ar,6S,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-
  • Phillyrin
  • 487-41-2
  • SCHEMBL710957
  • Phillyrin, >=98% (HPLC)
  • phyllyrin
  • UNII-VE9P4964MG
  • PHILLYROSIDE, (+)-
  • CCG-269935
  • C17048
  • DTXSID40197589
  • HY-N0482
  • CS-0009002
  • VE9P4964MG
  • AKOS037514776
  • s3926
  • (2S,3R,4S,5S,6R)-2-[4-[(3R,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • .BETA.-D-GLUCOPYRANOSIDE, 4-((1S,3AR,4R,6AR)-4-(3,4-DIMETHOXYPHENYL)TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1-YL)-2-METHOXYPHENYL
  • 4-(4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-2-methoxyphenyl, (1S-(1alpha,3aalpha,4beta,6aalpha))-beta-D-glucopyranoside
  • 4-((1S,3AR,4R,6AR))-4-(4-(3,4-DIMETHOXYPHENYL)TETRAHYDRO-1H,3H-FURO(3,4-C)FURAN-1-YL)-2-METHOXYPHENYL-.BETA.-D-GLUCOPYRANOSIDE
  • 1ST000538
  • beta-D-Glucopyranoside, 4-(4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-2-methoxyphenyl, (1S-(1alpha,3aalpha,4beta,6aalpha))-
  • Q27151384
  • CHEBI:80888
  • PHILLYRIN [MI]
  • (+)-Phillyrin
  • MDL:MFCD29505477
  • InChIKey:ZTIZEXUIEBLYBL-MNXUFRCLSA-N
  • Inchi:1S/C27H34O11/c1-32-18-7-4-13(8-20(18)34-3)25-16-11-36-26(17(16)12-35-25)15-6-5-14(9-19(15)33-2)37-27-24(31)23(30)22(29)21(10-28)38-27/h4-9,16-17,21-31H,10-12H2,1-3H3/t16-,17-,21?,22+,23?,24?,25-,26+,27+/m0/s1
  • SMILES:O1C([H])([H])[C@]2([H])[C@]([H])(C3C([H])=C([H])C(=C(C=3[H])OC([H])([H])[H])OC([H])([H])[H])OC([H])([H])[C@]2([H])[C@@]1([H])C1C([H])=C([H])C(=C([H])C=1OC([H])([H])[H])O[C@@]1([H])C([H])(C([H])([C@@]([H])(C([H])(C([H])([H])O[H])O1)O[H])O[H])O[H]
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 534.6g/mol
  • Surface Charge: 0
  • XLogP3: 0.8
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 11
  • Rotatable Bond Count: 8
  • Monoisotopic Mass: 534.210112g/mol
  • Monoisotopic Mass: 534.210112g/mol
  • Topological Polar Surface Area: 146Ų
  • Heavy Atom Count: 38
  • Complexity: 757
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1

Experimental Properties

  • LogP: 0.96630
  • PSA: 145.53000
  • Refractive Index: 1.596
  • Boiling Point: 730.4°C at 760 mmHg
  • Melting Point: approximate 157℃
  • Flash Point: 395.5°C
  • Color/Form: Powder
  • Density: 1.3610
Security Information
  • WGK Germany:3
  • Safety Instruction:S22; S24/25
  • Hazardous Material transportation number:NONH for all modes of transport
  • Hazard Statement:H302-H315-H319-H335
  • Warning Statement:P261-P305+P351+P338
  • Storage Condition:2-8°C
  • Signal Word:Warning
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