Cas no 25873-32-9 (Azuleno[6,5-b]furan-2(3H)-one,7-(acetyloxy)-3a,4,4a,5,6,7,7a,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,7S,7aS,9aR)-)

Azuleno[6,5-b]furan-2(3H)-one,7-(acetyloxy)-3a,4,4a,5,6,7,7a,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,7S,7aS,9aR)- structure
25873-32-9 structure
Product Name:Azuleno[6,5-b]furan-2(3H)-one,7-(acetyloxy)-3a,4,4a,5,6,7,7a,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,7S,7aS,9aR)-
CAS No:25873-32-9
MF:C17H22O5
MW:306.353585720062
CID:278897
PubChem ID:312136
Update Time:2025-04-19

Azuleno[6,5-b]furan-2(3H)-one,7-(acetyloxy)-3a,4,4a,5,6,7,7a,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,7S,7aS,9aR)- Chemical and Physical Properties

Names and Identifiers

    • Azuleno[6,5-b]furan-2(3H)-one,7-(acetyloxy)-3a,4,4a,5,6,7,7a,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,7S,7aS,9aR)-
    • (8-hydroxy-5,8-dimethyl-1-methylidene-2-oxo-5a,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-6-yl) acetate
    • Azuleno[6,5-b]furan-2(3H)-one,7-(acetyloxy)-3a,4,4a,5,6,7,7a,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,7S,
    • 25873-32-9
    • PLENIRADIN ACETATE
    • NSC220533
    • DTXSID90309978
    • NSC-220533
    • Inchi: 1S/C17H22O5/c1-8-5-13-11(9(2)16(19)22-13)6-12-15(8)14(21-10(3)18)7-17(12,4)20/h5,11-15,20H,2,6-7H2,1,3-4H3
    • InChI Key: UTPGJEROJZHISI-UHFFFAOYSA-N
    • SMILES: OC1(C)CC(C2C(C)=CC3C(C(=C)C(=O)O3)CC21)OC(C)=O

Computed Properties

  • Exact Mass: 306.14676
  • Monoisotopic Mass: 306.147
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 2
  • Complexity: 578
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 72.8?2

Experimental Properties

  • Density: 1.23
  • Boiling Point: 463.1°C at 760 mmHg
  • Flash Point: 167.1°C
  • Refractive Index: 1.55
  • PSA: 72.83
  • LogP: 1.75300

Azuleno[6,5-b]furan-2(3H)-one,7-(acetyloxy)-3a,4,4a,5,6,7,7a,9a-octahydro-5-hydroxy-5,8-dimethyl-3-methylene-,(3aR,4aR,5R,7S,7aS,9aR)- Related Literature

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