Cas no 93368-89-9 ((3beta,5alpha,6alpha,15alpha,16beta,24xi)-ergostane-3,6,8,15,16,26-hexol)

(3beta,5alpha,6alpha,15alpha,16beta,24xi)-ergostane-3,6,8,15,16,26-hexol structure
93368-89-9 structure
Product Name:(3beta,5alpha,6alpha,15alpha,16beta,24xi)-ergostane-3,6,8,15,16,26-hexol
CAS No:93368-89-9
MF:C28H50O6
MW:482.693009853363
CID:1982162
PubChem ID:185259
Update Time:2025-04-21

(3beta,5alpha,6alpha,15alpha,16beta,24xi)-ergostane-3,6,8,15,16,26-hexol Chemical and Physical Properties

Names and Identifiers

    • (3beta,5alpha,6alpha,15alpha,16beta,24xi)-ergostane-3,6,8,15,16,26-hexol
    • Ergostane-3,6,8,15,16,26-hexol
    • 93368-89-9
    • Ergostane-3,6,8,15,16,26-hexol #
    • MFAGYYNGXJIORY-QJROANQCSA-N
    • 24xi-Methyl-5alpha-cholestane-3beta,6alpha,8,15alpha,16beta,26-hexol
    • DTXSID10918480
    • 24-.Xi.-methyl-5.alpha.-cholestane-3.beta.,6.alpha.,8,15.alpha.,16.beta.,26-hexol
    • Inchi: 1S/C28H50O6/c1-15(17(3)14-29)6-7-16(2)22-23(32)24(33)25-27(22,5)11-9-21-26(4)10-8-18(30)12-19(26)20(31)13-28(21,25)34/h15-25,29-34H,6-14H2,1-5H3
    • InChI Key: MFAGYYNGXJIORY-UHFFFAOYSA-N
    • SMILES: CC(C(CCC(C1C2(CCC3C(C2C(O)C1O)(O)CC(O)C1C3(CCC(C1)O)C)C)C)C)CO

Computed Properties

  • Exact Mass: 482.361
  • Monoisotopic Mass: 482.361
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 6
  • Complexity: 732
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 12
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 121?2

Experimental Properties

  • Density: 1.197
  • Boiling Point: 623.3°C at 760 mmHg
  • Flash Point: 259.6°C
  • Refractive Index: 1.572
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