Cas no 471-54-5 (Isocolumbin)

Isocolumbin structure
Isocolumbin structure
Product Name:Isocolumbin
CAS No:471-54-5
MF:C20H22O6
MW:358.385086536407
CID:37617
PubChem ID:24721165
Update Time:2025-09-22

Isocolumbin Chemical and Physical Properties

Names and Identifiers

    • Isocolumbin
    • 5-Hydroxy-6,7-dimethoxylflavone
    • (1R,3S,5S,8S)-5-(Furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec
    • Columbin
    • BCP33582
    • NSC16037
    • C.A.S. 471,545
    • 1,4-Etheno-3H,7H-benzo[1,2-c:3,4-c']dipyran-3,7-dione, 9-(3-furanyl)decahydro-4-hydr
    • 471-54-5
    • Q-100497
    • FS-9823
    • (1S,2S,3S,5S,8S,11R,12S)-5-(Furan-3-yl)-12-hydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-ene-7,13-dione
    • AKOS037514699
    • AKOS040760157
    • CHEBI:81144
    • CS-0022977
    • DTXSID401099705
    • Q27155101
    • HY-N3050
    • C17508
    • (1R,4S,4aS,6aR,9R,10aR,10bR)-9-(3-Furanyl)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-4-hydroxy-4a,10a-dimethyl-1,4-etheno-3H,7H-benzo[1,2-c:3,4-c']dipyran-3,7-dione
    • DA-64529
    • MDL： MFCD02682936
    • Inchi： 1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13+,14+,15+,18-,19-,20-/m1/s1
    • InChI Key： AALLCALQGXXWNA-UKFLMKJWSA-N
    • SMILES： O1C([C@@]2(C=C[C@H]1[C@H]1[C@]3(C)C[C@@H](C4=COC=C4)OC([C@H]3CC[C@]12C)=O)O)=O

Computed Properties

  • Exact Mass: 358.14200
  • Monoisotopic Mass: 358.14163842 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 1
  • Complexity: 702
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 7
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 86
  • Molecular Weight: 358.4

Experimental Properties

  • Color/Form: Powder
  • Density: 1.4±0.1 g/cm3
  • Melting Point: 190°C
  • Boiling Point: 565.9±50.0 °C at 760 mmHg
  • Flash Point: 296.0±30.1 °C
  • PSA: 85.97000
  • LogP: 2.53270
  • Vapor Pressure: No data available

Isocolumbin Security Information

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Isocolumbin Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:471-54-5)Isocolumbin
Order Number:A1203325
Stock Status:in Stock
Quantity:10mg
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:50
Price ($):237.0

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Amadis Chemical Company Limited
(CAS:471-54-5)Isocolumbin
A1203325
Purity:99%
Quantity:10mg
Price ($):237.0
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