3α,7α-dihydroxy-5β-cholan-24-oic acid, DMESI

• Formula: C₃₆H₇₀O₄Si₃
• Molecular weight: 651.1951
• IUPAC Standard InChI: InChI=1S/C36H70O4Si3/c1-13-41(7,8)38-28-20-22-35(5)27(24-28)25-32(39-42(9,10)14-2)34-30-18-17-29(36(30,6)23-21-31(34)35)26(4)16-19-33(37)40-43(11,12)15-3/h26-32,34H,13-25H2,1-12H3/t26?,27?,28-,29?,30?,31?,32-,34?,35?,36?/m0/s1 Copy

  
• IUPAC Standard InChIKey: NMSWWFYXIZYFHL-JKBYRMPASA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • 3α,7β-dihydroxy-5β-cholan-24-oic acid, DMESI
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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

Kovats' 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.

Iida, Hikasaka, et al., 2001
Iida, T.; Hikasaka, M.; Goto, J.; Nambara, T., Capillary gas chromatographic behaviour of tert.-hydroxylated steroids by trialkylsilylation, J. Chromatogr. A, 2001, 937, 1-2, 97-105, https://doi.org/10.1016/S0021-9673(01)01305-X . [all data]

Notes

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