Cas no 115349-14-9 (Cholan-24-oic acid,3,12-dihydroxy-, (3a,5b,12a)-, homopolymer)

Cholan-24-oic acid,3,12-dihydroxy-, (3a,5b,12a)-, homopolymer structure
115349-14-9 structure
Product Name:Cholan-24-oic acid,3,12-dihydroxy-, (3a,5b,12a)-, homopolymer
CAS No:115349-14-9
MF:C24H40O4
MW:392.572008132935
CID:166253
Update Time:2024-01-25

Cholan-24-oic acid,3,12-dihydroxy-, (3a,5b,12a)-, homopolymer Chemical and Physical Properties

Names and Identifiers

    • Cholan-24-oic acid,3,12-dihydroxy-, (3a,5b,12a)-, homopolymer
    • 3-hydroxy-polydeoxycholic acid
    • (3alpha,5beta,12alpha)-3,12-Dihydroxycholan-24-oic acid
    • 3alpha-Hydroxy-polydeoxycholate
    • Cholan-24-oic acid, 3,12-dihydroxy-, (3alpha,5beta,12alpha)-, homopolymer
    • Inchi： 1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
    • InChI Key： KXGVEGMKQFWNSR-LLQZFEROSA-N
    • SMILES： C(O)(=O)CC[C@H]([C@@H]1[C@@]2(C)[C@@H](O)C[C@]3([H])[C@@]4(C)CC[C@@H](O)C[C@@]4([H])CC[C@@]3([H])[C@]2([H])CC1)C

Computed Properties

  • Exact Mass: 392.293
  • Monoisotopic Mass: 392.293
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 605
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 77.8A^2

Experimental Properties

  • Color/Form: 白色至 灰白色結(jié)晶粉末
  • Density: 1.128
  • Melting Point: 176-178 DEG C
  • Boiling Point: 547.1 °C at 760 mmHg
  • Flash Point: 298.8 °C
  • Refractive Index: 1.543
  • Specific Rotation: 55 o (C=1, ETOH)

Cholan-24-oic acid,3,12-dihydroxy-, (3a,5b,12a)-, homopolymer Security Information

  • Storage Condition：Store in cold storage.

Cholan-24-oic acid,3,12-dihydroxy-, (3a,5b,12a)-, homopolymer Related Literature

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