Cholestane

CAS Registry Number®

14982-53-7

CAS Name

Cholestane

Molecular Formula

C27H48

Molecular Mass

372.67

Cite this Page

Cholestane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=14982-53-7 (retrieved 2024-11-23) (CAS RN: 14982-53-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    69-70 °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-LDHZKLTISA-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
  • 1H-Cyclopenta[a]phenanthrene, 17-[(1R)-1,5-dimethylhexyl]hexadecahydro-10,13-dimethyl-, (8R,9S,10S,13R,14S,17R)-
  • (8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]hexadecahydro-10,13-dimethyl-1H-cyclopenta[a]phenanthrene
  • NSC 140722

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