Cas no 4439-98-9 (betulonic aldehyde)

betulonic aldehyde structure
betulonic aldehyde structure
Product Name:betulonic aldehyde
CAS No:4439-98-9
MF:C30H46O2
MW:438.7
CID:333044
PubChem ID:473111
Update Time:2024-03-01

betulonic aldehyde Chemical and Physical Properties

Names and Identifiers

    • Lup-20(29)-en-28-al,3-oxo-
    • Betulonic aldehyde
    • (+)-Betulonal
    • 1H-Cyclopenta[a]chrysene, lup-20(29)-en-28-al deriv.
    • Betulonal
    • Betulonaldehyde
    • Liquidambronal
    • Lup-20(30)-en-28-al,3-oxo- (6CI,7CI)
    • CID 145994501
    • Betulonic aldehyde, 97%, Semi-Synthetic
    • lup-28-al-20(29)-en-3-one
    • Lup-20(29)-en-28-al, 3-oxo-
    • (1R,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-9-oxoicosahydro-3aH-cyclopenta[a]chrysene-3a-carbaldehyde
    • NSC-818146
    • (1R,3aS,4S,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-Isopropenyl-5a,5b,8,8,11a-pentamethyl-9-oxo-eicosahydro-cyclopenta[a]chrysene-3a-carbaldehyde
    • CHEMBL297478
    • (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbaldehyde
    • DTXSID301346531
    • 4439-98-9
    • SCHEMBL5956547
    • (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-9-oxo-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbaldehyde
    • 3,28-Dideoxy-3,28-dioxobetulin
    • AKOS015959637
    • Betulonic aldehyde, betulonal
    • (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3 a-carbaldehyde
    • (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carbaldehyde
    • Lup-20(29)-en-28-al-3-one
    • 3-oxolup-20(29)-en-28-al
    • NSC818146
    • MHAVMNJPXLZEIG-CNRMHUMKSA-N
    • betulonic aldehyde
    • Inchi: 1S/C30H46O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-23,25H,1,8-17H2,2-7H3/t20?,21?,22?,23?,25?,27-,28+,29+,30?/m0/s1
    • InChI Key: MHAVMNJPXLZEIG-DZQBNKKZSA-N
    • SMILES: O=CC12CCC(C(=C)C)C1C1CCC3[C@@]4(C)CCC(C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)=O

Computed Properties

  • Exact Mass: 438.349780706g/mol
  • Monoisotopic Mass: 438.349780706g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 2
  • Complexity: 855
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 34.1
  • XLogP3: 7.8

Experimental Properties

  • Density: 1.037±0.06 g/cm3(Predicted)
  • Melting Point: 165-166 °C
  • Boiling Point: 511.7±33.0 °C(Predicted)
  • Solubility: DMF: 10 mg/ml

betulonic aldehyde Security Information

  • Storage Condition:-20°C

betulonic aldehyde Pricemore >>

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