Cas no 77394-27-5 (Sesartemin)

Sesartemin structure
Sesartemin structure
Product Name:Sesartemin
CAS No:77394-27-5
MF:C23H26O8
MW:430.447747707367
CID:837211
PubChem ID:3732009
Update Time:2025-04-19

Sesartemin Chemical and Physical Properties

Names and Identifiers

    • Sesartemin
    • NSC 380470
    • [ "" ]
    • BDBM50541533
    • 6-[(3S,3aR,6S,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole
    • Q27108283
    • FS-9438
    • C23H26O8
    • SESARTEMIN-(+)
    • NSC-380470
    • NCI60_003597
    • CHEBI:9128
    • CHEMBL1980572
    • NSC380470
    • AKOS032948911
    • (+)-Sesartemin
    • DTXSID90321716
    • 77394-27-5
    • Diasesartemin
    • 2-Episesalatin
    • ACon1_001418
    • 2-(3-Methoxy-4,5-methylenedioxyphenyl)-6-(3,4,5-trimethoxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
    • 4-Methoxy-6-[tetrahydro-4-(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxole, 9CI
    • SCHEMBL17385619
    • Sesalatin
    • DHWUVPPRBIJJKS-UHFFFAOYSA-N
    • NCGC00180526-01
    • BRD-A17828821-001-01-7
    • 77449-31-1
    • EPISESARTEMIN A
    • MEGxp0_001364
    • 3,3',4',5'-Tetramethoxy-4,5-methylenedioxy-7,9',7',9-diepoxylignan
    • Inchi: 1S/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3/t14-,15-,20+,21+/m0/s1
    • InChI Key: DHWUVPPRBIJJKS-VUEDXXQZSA-N
    • SMILES: O1C[C@@H]2[C@@H](C3C=C(C(=C(C=3)OC)OC)OC)OC[C@@H]2[C@H]1C1=CC(=C2C(=C1)OCO2)OC

Computed Properties

  • Exact Mass: 430.16300
  • Monoisotopic Mass: 430.16276778g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 6
  • Complexity: 590
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 73.8?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 546.7±50.0 °C at 760 mmHg
  • Flash Point: 221.1±30.0 °C
  • PSA: 73.84000
  • LogP: 3.52490
  • Vapor Pressure: 0.0±1.4 mmHg at 25°C

Sesartemin Security Information

Sesartemin Pricemore >>

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