Cas no 28400-14-8 (Cyclodeca[b]furan-6-carboxaldehyde,2,3,3a,4,5,8,9,11a-octahydro-4-hydroxy-10-(hydroxymethyl)-3-methylene-2-oxo-,(3aR,4S,6E,10Z,11aR)-)

Cyclodeca[b]furan-6-carboxaldehyde,2,3,3a,4,5,8,9,11a-octahydro-4-hydroxy-10-(hydroxymethyl)-3-methylene-2-oxo-,(3aR,4S,6E,10Z,11aR)- structure
28400-14-8 structure
Product Name:Cyclodeca[b]furan-6-carboxaldehyde,2,3,3a,4,5,8,9,11a-octahydro-4-hydroxy-10-(hydroxymethyl)-3-methylene-2-oxo-,(3aR,4S,6E,10Z,11aR)-
CAS No:28400-14-8
MF:C15H18O5
MW:278.300425052643
CID:270853
PubChem ID:5478095
Update Time:2025-04-19

Cyclodeca[b]furan-6-carboxaldehyde,2,3,3a,4,5,8,9,11a-octahydro-4-hydroxy-10-(hydroxymethyl)-3-methylene-2-oxo-,(3aR,4S,6E,10Z,11aR)- Chemical and Physical Properties

Names and Identifiers

    • (6E,10Z)-4-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde
    • Cyclodeca[b]furan-6-carboxaldehyde,2,3,3a,4,5,8,9,11a-octahydro-4-hydroxy-10-(hydroxymethyl)-3-methylene-2-oxo-,(3aR,4S,6E,10
    • Cyclodeca[b]furan-6-carboxaldehyde,2,3,3a,4,5,8,9,11a-octahydro-4-hydroxy-10-(hydroxymethyl)-3-methylene-2-oxo-,(3aR,4S,6E,10Z,11aR)-
    • 4-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carbaldehyde
    • AC1NUGSE
    • AC1Q69LX
    • NSC380768
    • urospermal A
    • Urospermal B
    • UROSPERMAL I
    • 28400-14-8
    • DTXSID10420472
    • NSC-380768
    • AKOS040735143
    • NCGC00385803-01
    • MEGxp0_001678
    • Urospermal
    • Inchi: 1S/C15H18O5/c1-9-14-12(18)5-10(7-16)3-2-4-11(8-17)6-13(14)20-15(9)19/h3,6-7,12-14,17-18H,1-2,4-5,8H2/b10-3+,11-6-
    • InChI Key: CVISOHZWXIVDFN-MPUMUABYSA-N
    • SMILES: O1C(C(=C)C2C(CC(C=O)=CCCC(CO)=CC12)O)=O |c:9,t:15|

Computed Properties

  • Exact Mass: 278.11544
  • Monoisotopic Mass: 278.11542367g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 489
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.1
  • Topological Polar Surface Area: 83.8?2

Experimental Properties

  • PSA: 83.83
  • LogP: 0.67300
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