Cas no 39388-57-3 (Kaur-16-en-15-one,1,7,14-trihydroxy-, (1a,7a,14R)-)

The compound Kaur-16-en-15-one,1,7,14-trihydroxy-, (1a,7a,14R)- is a diterpenoid derivative characterized by a kaurane skeleton with hydroxyl groups at positions 1, 7, and 14, and a ketone at position 15. Its stereospecific configuration (1a,7a,14R) contributes to its structural uniqueness and potential reactivity. This compound is of interest in organic synthesis and medicinal chemistry due to its functionalized framework, which may serve as a precursor for bioactive molecules or as a scaffold for further derivatization. Its hydroxyl groups enhance solubility and provide sites for selective modifications, while the conjugated ketone offers opportunities for nucleophilic addition or reduction reactions. These features make it a versatile intermediate for research applications.
Kaur-16-en-15-one,1,7,14-trihydroxy-, (1a,7a,14R)- structure
39388-57-3 structure
Product Name:Kaur-16-en-15-one,1,7,14-trihydroxy-, (1a,7a,14R)-
CAS No:39388-57-3
MF:C20H30O4
MW:334.449806690216
CID:318653
PubChem ID:12004580
Update Time:2025-06-08

Kaur-16-en-15-one,1,7,14-trihydroxy-, (1a,7a,14R)- Chemical and Physical Properties

Names and Identifiers

    • Kaur-16-en-15-one,1,7,14-trihydroxy-, (1a,7a,14R)-
    • Kamebanin
    • (1α,5β,7α,8α,9β,10α,13α,14R)-1,7,14-Trihydroxykaur-16-en-15-one
    • MLS000563455
    • HMS2220E17
    • (1,7,14R)-1,7,14-Trihydroxykaur-16-en-15-one
    • SMR000232310
    • rel-(-)-(1R,4R,8S,9R,10S,13S,16R)-2,8,16-trihydroxy-5,5,9-trimethyl-14- methylenetetracyclo[11.2.1.0^1,10^.0^4,9^]hexadecan-15-one
    • AKOS032962233
    • (1R,2R,4R,8S,9R,10S,13S,16R)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
    • 39388-57-3
    • FS-9859
    • CHEMBL472437
    • DA-74717
    • rel-(-)-(1R,4R,8S,9R,10S,13S,16R)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylenetetracyclo(11.2.1.0^1,10^.0^4,9^)hexadecan-15-one
    • rel-(-)-(1R,4R,8S,9R,10S,13S,16R)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylenetetracyclo[11.2.1.0^1,10^.0^4,9^]hexadecan-15-one
    • (1R,2R,4R,8S,9R,10S,13S,16R)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidenetetracyclo(11.2.1.01,10.04,9)hexadecan-15-one
    • [ "" ]
    • Inchi： 1S/C20H30O4/c1-10-11-5-6-12-19(4)13(18(2,3)8-7-14(19)21)9-15(22)20(12,16(10)23)17(11)24/h11-15,17,21-22,24H,1,5-9H2,2-4H3/t11-,12-,13+,14-,15+,17+,19-,20-/m0/s1
    • InChI Key： VSDVMWBRICFVRW-BIGDWJEQSA-N
    • SMILES： O[C@@H]1C[C@@H]2C(C)(C)CC[C@@H]([C@@]2(C)[C@@H]2CC[C@H]3C(=C)C([C@]21[C@@H]3O)=O)O

Computed Properties

  • Exact Mass: 334.21440943g/mol
  • Monoisotopic Mass: 334.21440943g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 0
  • Complexity: 611
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 77.8?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 514.0±50.0 °C at 760 mmHg
  • Flash Point: 278.8±26.6 °C
  • Vapor Pressure: 0.0±3.0 mmHg at 25°C

Kaur-16-en-15-one,1,7,14-trihydroxy-, (1a,7a,14R)- Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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(1α,5β,7α,8α,9β,10α,13α,14R)-1,7,14-Trihydroxykaur-16-en-15-one
 39388-57-3
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 39388-57-3 98.00%
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TargetMol Chemicals
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TargetMol Chemicals
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 39388-57-3 98.00%
1mg
 ￥ 1,567 2023-07-11
TargetMol Chemicals
TN4375-5 mg
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5mg
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TargetMol Chemicals
TN4375-10 mg
Kamebanin
 39388-57-3 98.00%
10mg
 ￥ 4,797 2023-07-11

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