Cas no 115028-67-6 (Kaur-15-en-17-oic acid,18-hydroxy-, (4b)-(9CI))

Kaur-15-en-17-oic acid,18-hydroxy-, (4b)-(9CI) structure
115028-67-6 structure
Product Name:Kaur-15-en-17-oic acid,18-hydroxy-, (4b)-(9CI)
CAS No:115028-67-6
MF:C20H30O3
MW:318.450406551361
CID:154615
PubChem ID:91895324
Update Time:2025-04-19

Kaur-15-en-17-oic acid,18-hydroxy-, (4b)-(9CI) Chemical and Physical Properties

Names and Identifiers

    • Kaur-15-en-17-oic acid,18-hydroxy-, (4b)-(9CI)
    • (5β,8α,9β,10α,13α)-19-Hydroxykaur-15-en-17-oic acid
    • Pseudolaric acid D
    • 1H-2,10a-Ethenophenanthrene,kaur-15-en-17-oic acid deriv.
    • ent-18-Hydroxy-15-kauren-17-oic acid
    • [ "ent-18-Hydroxy-15-kauren-17-oic acid" ]
    • FS-10171
    • Kaur-15-en-17-oic acid, 18-hydroxy-, (4beta)-
    • (1S,4S,5S,9S,10S,13R)-5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-14-carboxylic acid
    • AKOS032961895
    • C71483
    • 115028-67-6
    • HY-N1553
    • CS-0017102
    • MDL： MFCD20260425
    • Inchi： 1S/C20H30O3/c1-18(12-21)7-3-8-19(2)15(18)6-9-20-10-13(4-5-16(19)20)14(11-20)17(22)23/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)/t13-,15-,16+,18-,19-,20+/m1/s1
    • InChI Key： WUENWZUJMIZJPA-UBTCDGAASA-N
    • SMILES： OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C=C(C(=O)O)[C@H](CC[C@@H]21)C3

Computed Properties

  • Exact Mass: 318.21900
  • 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: 2
  • Complexity: 567
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.8
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 471.9±18.0°C at 760 mmHg
  • Flash Point: 253.3±17.7 °C
  • PSA: 57.53000
  • LogP: 4.01250
  • Vapor Pressure: 0.0±2.7 mmHg at 25°C

Kaur-15-en-17-oic acid,18-hydroxy-, (4b)-(9CI) Security Information

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