Cas no 112966-16-2 (Tokinolide B)

Tokinolide B is a bioactive natural compound classified as a sesquiterpene lactone, primarily isolated from certain medicinal plants. It exhibits notable pharmacological properties, including anti-inflammatory and cytotoxic activities, making it a subject of interest in pharmaceutical and biomedical research. Its molecular structure allows for selective interaction with biological targets, contributing to its potential therapeutic applications. Tokinolide B is characterized by its stability under standard laboratory conditions and its compatibility with various organic solvents, facilitating its use in experimental studies. Research suggests it may modulate key signaling pathways, though further studies are required to fully elucidate its mechanisms and applications.
Tokinolide B structure
Tokinolide B structure
Product Name:Tokinolide B
CAS No:112966-16-2
MF:C24H28O4
MW:380.4767
CID:230974
PubChem ID:11090206
Update Time:2025-05-20

Tokinolide B Chemical and Physical Properties

Names and Identifiers

    • Spiro[3H-3a,6-ethanoisobenzofuran-4(1H),1'(3'H)-isobenzofuran]-1,3'-dione,3-butylidene-5,6,6',7'-tetrahydro-5-propyl-, (1'S,3Z,3aS,5R,6R)-
    • Tokinolide B
    • Spiro[3H-3a,6-ethanoisobenzofuran-4(1H),1'(3'H)-isobenzofuran]-1,3'-dione,3-butylidene-5,6,6',7'-tetrahydro-5-propyl-, (1'S,3
    • (3'Z)-(3S,8R,3a'S,6'R)-3,3a':8,6'-Diligustilide
    • Spiro[3H-3a,6-ethanoisobenzofuran-4(1H),1'(3'H)-isobenzofuran]-1,3'-dione,3-butylidene-5,6,6',7'-tetrahydro-5-propyl-, [3aS-(3Z,3aa,4a,5a,6a)]-
    • 3A':8
    • (3'Z)-(3S
    • TokinolideB
    • MS-26229
    • AKOS037515200
    • DTXSID401318006
    • 112966-16-2
    • CS-0016436
    • SCHEMBL4215566
    • (1S,2Z,7R,8R,9S)-2-butylidene-8-propylspiro[3-oxatricyclo[5.2.2.01,5]undec-5-ene-9,3'-4,5-dihydro-2-benzofuran]-1',4-dione
    • HY-N1145
    • 6'R)-3
    • (1S,2Z,7R,8R,9S)-2-butylidene-8-propylspiro(3-oxatricyclo(5.2.2.01,5)undec-5-ene-9,3'-4,5-dihydro-2-benzofuran)-1',4-dione
    • DA-58644
    • Inchi: 1S/C24H28O4/c1-3-5-11-20-23-13-12-15(14-19(23)22(26)27-20)17(8-4-2)24(23)18-10-7-6-9-16(18)21(25)28-24/h6,9,11,14-15,17H,3-5,7-8,10,12-13H2,1-2H3/b20-11-/t15-,17-,23+,24+/m1/s1
    • InChI Key: DZMFTLLDUYBHLI-MUSNRYMWSA-N
    • SMILES: O1C(C2C([H])=C([H])C([H])([H])C([H])([H])C=2[C@@]21[C@]([H])(C([H])([H])C([H])([H])C([H])([H])[H])[C@@]1([H])C([H])=C3C(=O)O/C(=C(/[H])\C([H])([H])C([H])([H])C([H])([H])[H])/[C@@]23C([H])([H])C1([H])[H])=O

Computed Properties

  • Exact Mass: 380.19900
  • Monoisotopic Mass: 380.19875937g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 873
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 52.6
  • XLogP3: 4.8

Experimental Properties

  • Color/Form: Powder
  • Density: 1.23±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 644.2±55.0 °C at 760 mmHg
  • Flash Point: 338.5±29.9 °C
  • Solubility: Slightly soluble (1.1 g/l) (25 o C),
  • PSA: 52.60000
  • LogP: 4.92210
  • Vapor Pressure: 0.0±1.9 mmHg at 25°C

Tokinolide B Security Information

Tokinolide B Pricemore >>

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