5β-Cholestane

CAS Registry Number®

481-20-9

CAS Name

5β-Cholestane

Molecular Formula

C27H48

Molecular Mass

372.67

Cite this Page

5β-Cholestane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=481-20-9 (retrieved 2024-11-22) (CAS RN: 481-20-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    72 °C

  • Density (2)

    0.8949 g/cm³ @ Temp: 117.6 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

InChIKey=XIIAYQZJNBULGD-CJPSHIORSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(CCCC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]

Canonical SMILES

CC(C)CCCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C

Other Names for this Substance

  • Cholestane, (5β)-
  • 5β-Cholestane
  • (5β)-Cholestane
  • Coprostane
  • Pseudocholestane

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