Methyl acetyl-isolithocholate

• Formula: C₂₇H₄₄O₄
• Molecular weight: 432.6359
• IUPAC Standard InChI: InChI=1S/C27H44O4/c1-17(6-11-25(29)30-5)22-9-10-23-21-8-7-19-16-20(31-18(2)28)12-14-26(19,3)24(21)13-15-27(22,23)4/h17,19-24H,6-16H2,1-5H3/t17-,19-,20+,21+,22-,23+,24+,26+,27-/m0/s1 Copy

  
• IUPAC Standard InChIKey: DVIUCIPCTDVQAP-KJWLHQJJSA-N Copy
• CAS Registry Number: 1255-51-2
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • Cholan-24-oic acid, 3-(acetyloxy)-, methyl ester, (3α,5β)-
• Other names: Methyl 3-O-acetyl-isolithocholate; 24-Cholanoic acid, 3-acetoxy-, methyl ester, (3β,5β)-; Isolithocholic acid, acetate-methyl ester; Cholan-24-oic acid, 3-(acetyloxy)-, methyl ester, (3β,5β)-; 5β-Cholan-24-oic acid, 3β-hydroxy-, methyl ester, acetate; 5β-Cholanic acid, 3β-hydroxy-, methyl ester, acetate; Methyl 3-(acetyloxy)cholan-24-oate, (3β,5β)-
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• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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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, temperature ramp

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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.

Batta, Salen, et al., 1997
Batta, A.K.; Salen, G.; Batta, M.; Earnest, D.; Alberts, D., Capillary gas-liquid chromatography of acetate-methyl esters of bile acids, J. Chromatogr. A, 1997, 766, 1-2, 286-291, https://doi.org/10.1016/S0021-9673(96)01016-3 . [all data]

Notes

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