Cas no 929881-46-9 (Cucumegastigmane I)

Cucumegastigmane I structure
Cucumegastigmane I structure
Product Name:Cucumegastigmane I
CAS No:929881-46-9
MF:C13H20O4
MW:240.295504570007
CID:837648
PubChem ID:16105430
Update Time:2025-04-19

Cucumegastigmane I Chemical and Physical Properties

Names and Identifiers

    • Cucumegastigmane I
    • (4S)-4-[(1E,3S)-3,4-Dihydroxy-1-buten-1-yl]-4-hydroxy-3,5,5-trime thyl-2-cyclohexen-1-one
    • [ "" ]
    • (4S)-4-[(E,3S)-3,4-dihydroxybut-1-enyl]-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
    • AKOS032948645
    • FS-9167
    • (S)-4-((S,E)-3,4-Dihydroxybut-1-en-1-yl)-4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
    • 929881-46-9
    • Cucumegastigmae I
    • Inchi： 1S/C13H20O4/c1-9-6-11(16)7-12(2,3)13(9,17)5-4-10(15)8-14/h4-6,10,14-15,17H,7-8H2,1-3H3/b5-4+/t10-,13+/m0/s1
    • InChI Key： CNLCQYMRNGWEJB-OERKHBLVSA-N
    • SMILES： O[C@]1(/C=C/[C@@H](CO)O)C(C)=CC(CC1(C)C)=O

Computed Properties

  • Exact Mass: 240.13600
  • Monoisotopic Mass: 240.13615911g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 368
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.5
  • Topological Polar Surface Area: 77.8?2

Experimental Properties

  • Color/Form: Oil
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 432.7±45.0 °C at 760 mmHg
  • Flash Point: 229.6±25.2 °C
  • PSA: 77.76000
  • LogP: 0.57220
  • Vapor Pressure: 0.0±2.3 mmHg at 25°C

Cucumegastigmane I Security Information

Cucumegastigmane I Pricemore >>

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