Cholan-24-oic acid, methyl ester, (5β)-

• Formula: C₂₅H₄₂O₂
• Molecular weight: 374.5998
• IUPAC Standard InChI: InChI=1S/C25H42O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h17-22H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,24+,25-/m0/s1 Copy

  
• IUPAC Standard InChIKey: YHTRVWPOAJKWBV-APBXINRGSA-N Copy
• CAS Registry Number: 2204-14-0
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • 5α-Cholanic acid, methyl ester
• Other names: 5β-Cholan-24-oic acid, methyl ester; Methyl cholanate; Methyl 5β-cholanate; Methyl-5β-cholan-24-oate; Methyl-5β-cholanoate; 5β-Cholanic acid methyl ester
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• Information on this page:
  • Gas Chromatography
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Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, isothermal

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Lawson and Setchell, 1988
Lawson, A.M.; Setchell, K.D.R., Appendix of GC retention indices. List of retention indices foe methyl ester - trimethylsilyl (Me-TMS) ether derivatives of bile acids, The Bile Acids. Vol. 4, Methods and Applications, 1988, 4, 571-575. [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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