Methyl desoxycholate, 2TMS derivative

• Formula: C₃₁H₅₈O₄Si₂
• Molecular weight: 550.9608
• IUPAC Standard InChI: InChI=1S/C31H58O4Si2/c1-21(11-16-29(32)33-4)25-14-15-26-24-13-12-22-19-23(34-36(5,6)7)17-18-30(22,2)27(24)20-28(31(25,26)3)35-37(8,9)10/h21-28H,11-20H2,1-10H3/t21-,22-,23-,24+,25-,26+,27+,28+,30+,31-/m0/s1 Copy

  
• IUPAC Standard InChIKey: RDYDEBUPRPMEHW-IQLDZALRSA-N Copy
• CAS Registry Number: 6818-41-3
• Chemical structure:
  This structure is also available as a 2d Mol file
• Species with the same structure:
  • Cholanic acid, 3α,12α-dihydroxy, Me-TMS
• Stereoisomers:
  • 3α,12β-Dihydroxy-5β-cholanoic acid, methyl ester-trimethylsilyl ether
  • 3-α,12-α-Dihydroxy-5-α-cholanoic acid, MeTMS
  • 3-β,12-α-Dihydroxy-5-α-cholanoic acid, MeTMS
  • 3-β,12-α-Dihydroxy-5-β-cholanoic acid, MeTMS
  • 5-α-Cholanoic acid, 3-α-12-β-dihydroxy, methyl ester, TMS
  • allo-Cholanic acid, 3α,12α-dihydroxy, Me-TMS
  • allo-Cholanic acid, 3α,12β-dihydroxy, Me-TMS
  • allo-Cholanic acid, 3β,12α-dihydroxy, Me-TMS
  • allo-Cholanic acid, 3β,12β-dihydroxy, Me-TMS
  • Cholanic acid, 3α,12β-dihydroxy, Me-TMS
  • Cholanic acid, 3β,12α-dihydroxy, Me-TMS
  • Cholanic acid, 3β,12β-dihydroxy, Me-TMS
• Other names: Cholan-24-oic acid, 3,12-bis[(trimethylsilyl)oxy]-, methyl ester, (3α,5β,12α)-; 5β-Cholanic acid, 3α,12α-bis(trimethylsiloxy)-, methyl ester; Methyl 3,12-bis[(trimethylsilyl)oxy]cholan-24-oate, (3α,5β,12α)-; 3-α,12-α-Dihydroxy-5-β-cholanoic acid, MeTMS; 5-β-Cholanoic acid, 3-α-12-α-dihydroxy, methyl ester, TMS; Deoxycholic acid, trimethylsilyl ether-methyl ester
• Information on this page:
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• Options:
  • Switch to calorie-based units

Mass spectrum (electron ionization)

Go To: Top, References, Notes

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

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Additional Data

References

Go To: Top, Mass spectrum (electron ionization), Notes

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

No reference data available.

Notes

Go To: Top, Mass spectrum (electron ionization), References

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.