Methyl 7,12-dihydroxy-3-oxocholan-24-oate, (5β,7α,12α)-, 2TMS derivative

• Formula: C₃₁H₅₆O₅Si₂
• Molecular weight: 564.9443
• IUPAC Standard InChI: InChI=1S/C31H56O5Si2/c1-20(11-14-28(33)34-4)23-12-13-24-29-25(19-27(31(23,24)3)36-38(8,9)10)30(2)16-15-22(32)17-21(30)18-26(29)35-37(5,6)7/h20-21,23-27,29H,11-19H2,1-10H3/t20-,21+,23-,24+,25+,26-,27+,29+,30+,31-/m0/s1 Copy

  
• IUPAC Standard InChIKey: LYEQLVCCHOHXEJ-QUUIAQLXSA-N Copy
• CAS Registry Number: 15093-99-9
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Cholan-24-oic acid, 3-oxo-7,12-bis[(trimethylsilyl)oxy]-, methyl ester, (5β,7α,12α)-; 5β-Cholan-24-oic acid, 3-oxo-7α,12α-bis(trimethylsiloxy)-, methyl ester; Methyl 7-α,12-α-dihydroxy-3-keto-5-βcholanoate, TMS
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• Information on this page:
  • Normal alkane RI, non-polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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Normal alkane RI, non-polar column, custom temperature program

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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

References

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

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

Axelson, Ellis, et al., 2000
Axelson, M.; Ellis, E.; Mörk, B.; Garmark, K.; Abrahamsson, A.; Björkhem, I.; Ericzon, B.-G.; Einarsson, C., Bile acid synthesis in cultured human hepatocytes: support for an alternative biosynthetic pathway to cholic acid, Hepatology, 2000, 31, 6, 1305-1312, https://doi.org/10.1053/jhep.2000.7877 . [all data]

Notes

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References

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