Cholanic acid, 3α,7β,12α-trihydroxy, Me-DMES

• Formula: C₃₇H₇₂O₅Si₃
• Molecular weight: 681.2211
• IUPAC Standard InChI: InChI=1S/C37H72O5Si3/c1-14-43(8,9)40-28-21-22-36(5)27(23-28)24-32(41-44(10,11)15-2)35-30-19-18-29(26(4)17-20-34(38)39-7)37(30,6)33(25-31(35)36)42-45(12,13)16-3/h26-33,35H,14-25H2,1-13H3/t26-,27+,28-,29-,30+,31+,32+,33+,35+,36+,37-/m0/s1 Copy

  
• IUPAC Standard InChIKey: QIHGNFRQNAWOFU-CENASPBUSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • allo-Cholanic acid, 3α,7α,12α-trihydroxy, Me-DMES
  • allo-Cholanic acid, 3α,7α,12β-trihydroxy, Me-DMES
  • allo-Cholanic acid, 3α,7β,12α-trihydroxy, Me-DMES
  • allo-Cholanic acid, 3α,7β,12β-trihydroxy, Me-DMES
  • allo-Cholanic acid, 3β,7α,12α-trihydroxy, Me-DMES
  • allo-Cholanic acid, 3β,7α,12β-trihydroxy, Me-DMES
  • allo-Cholanic acid, 3β,7β,12α-trihydroxy, Me-DMES
  • allo-Cholanic acid, 3β,7β,12β-trihydroxy, Me-DMES
  • Cholanic acid, 3α,7α,12α-trihydroxy, Me-DMES
  • Cholanic acid, 3α,7α,12β-trihydroxy, Me-DMES
  • Cholanic acid, 3α,7β,12β-trihydroxy, Me-DMES
  • Cholanic acid, 3β,7α,12α-trihydroxy, Me-DMES
  • Cholanic acid, 3β,7α,12β-trihydroxy, Me-DMES
  • Cholanic acid, 3β,7β,12α-trihydroxy, Me-DMES
  • Cholanic acid, 3β,7β,12β-trihydroxy, Me-DMES
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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, custom temperature program

View large format table.

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.

Iida, Momose, et al., 1987
Iida, T.; Momose, T.; Tamura, T.; Matsumoto, T.; Goto, J.; Nambara, T.; Chang, F.C., Capillary gas chromatography of hydroxylated bile acid stereoisomers of the allo and normal series, J. Chromatogr., 1987, 389, 155-164, https://doi.org/10.1016/S0021-9673(01)94419-X . [all data]

Notes

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