Cas no 93368-88-8 ((3beta,4beta,5alpha,6alpha,15alpha,16beta)-cholestane-3,4,6,8,15,16,26-heptol)

(3beta,4beta,5alpha,6alpha,15alpha,16beta)-cholestane-3,4,6,8,15,16,26-heptol structure
93368-88-8 structure
Product Name:(3beta,4beta,5alpha,6alpha,15alpha,16beta)-cholestane-3,4,6,8,15,16,26-heptol
CAS No:93368-88-8
MF:C27H48O7
MW:484.665829658508
CID:1982161
PubChem ID:185258
Update Time:2025-04-21

(3beta,4beta,5alpha,6alpha,15alpha,16beta)-cholestane-3,4,6,8,15,16,26-heptol Chemical and Physical Properties

Names and Identifiers

    • (3beta,4beta,5alpha,6alpha,15alpha,16beta)-cholestane-3,4,6,8,15,16,26-heptol
    • 5.alpha.-Cholestane-3.beta.,4.beta.,6.alpha.,8,15.alpha.,16.beta.,26-heptol
    • 5alpha-Cholestane-3beta,4beta,6alpha,8,15alpha,16beta,26-heptol
    • Cholestane-3,4,6,8,15,16,26-heptol
    • DTXSID70918481
    • WXGHOWLKEUMJEN-JEYQDRJASA-N
    • Cholestane-3,4,6,8,15,16,26-heptol, (3beta,4beta,5alpha,6alpha,15alpha,16beta)-
    • 93368-88-8
    • Cholestane-3,4,6,8,15,16,26-heptol #
    • Inchi: 1S/C27H48O7/c1-14(13-28)6-5-7-15(2)19-22(32)23(33)24-26(19,4)11-9-18-25(3)10-8-16(29)21(31)20(25)17(30)12-27(18,24)34/h14-24,28-34H,5-13H2,1-4H3
    • InChI Key: WXGHOWLKEUMJEN-UHFFFAOYSA-N
    • SMILES: CC(CCCC(C1C2(CCC3C(C2C(O)C1O)(O)CC(O)C1C3(CCC(C1O)O)C)C)C)CO

Computed Properties

  • Exact Mass: 484.34
  • Monoisotopic Mass: 484.34
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 6
  • Complexity: 734
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 13
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 142?2

Experimental Properties

  • Density: 1.264
  • Boiling Point: 635°C at 760 mmHg
  • Flash Point: 267.2°C
  • Refractive Index: 1.592
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