Cas no 66556-91-0 (ent-3β-Hydroxykaur-16-en-19-oic acid)

ent-3β-Hydroxykaur-16-en-19-oic acid structure
66556-91-0 structure
Product Name:ent-3β-Hydroxykaur-16-en-19-oic acid
CAS No:66556-91-0
MF:C20H30O3
MW:318.450406551361
CID:1080788
PubChem ID:76376083
Update Time:2025-04-20

ent-3β-Hydroxykaur-16-en-19-oic acid Chemical and Physical Properties

Names and Identifiers

    • ent-3β-Hydroxykaur-16-en-19-oic acid
    • ent-3β-Hydroxykaur-16-en-19-oic
    • 66556-91-0
    • (1S,4S,5S,6R,9S,10R,13R)-6-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
    • ent-3beta-Hydroxykaur-16-en-19-oic acid
    • Inchi： 1S/C20H30O3/c1-12-10-20-9-6-14-18(2,15(20)5-4-13(12)11-20)8-7-16(21)19(14,3)17(22)23/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14+,15+,16-,18-,19+,20-/m1/s1
    • InChI Key： KCJVDDSMQGJVAF-AZFOIECZSA-N
    • SMILES： O[C@@H]1CC[C@]2(C)[C@@H]([C@@]1(C(=O)O)C)CC[C@]13CC(=C)[C@H](CC[C@H]12)C3

Computed Properties

  • Exact Mass: 318.21949481g/mol
  • Monoisotopic Mass: 318.21949481g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 1
  • Complexity: 569
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 7
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.6
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.16±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 467.4±45.0 °C at 760 mmHg
  • Flash Point: 250.6±25.2 °C
  • Solubility: Almost insoluble (0.061 g/l) (25 o C),
  • Vapor Pressure: 0.0±2.6 mmHg at 25°C

ent-3β-Hydroxykaur-16-en-19-oic acid Security Information

ent-3β-Hydroxykaur-16-en-19-oic acid Pricemore >>

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