α-Cortolone, 4TMS derivative

• Formula: C₃₃H₆₆O₅Si₄
• Molecular weight: 655.2161
• IUPAC Standard InChI: InChI=1S/C33H66O5Si4/c1-31-19-17-25(36-40(6,7)8)21-24(31)15-16-26-27-18-20-33(38-42(12,13)14,32(27,2)22-28(34)30(26)31)29(37-41(9,10)11)23-35-39(3,4)5/h24-27,29-30H,15-23H2,1-14H3/t24-,25-,26+,27+,29+,30-,31+,32+,33+/m0/s1 Copy

  
• IUPAC Standard InChIKey: LTOJWDHWCDVAFF-GOQVUWIDSA-N Copy
• CAS Registry Number: 56196-46-4
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • β-Cortolone, 4TMS derivative
  • β-Cortolone, tetrakis-TMS
  • 3A,17A,20A,21-Tetrahydroxy-5B-pregnan-11-one, tetrakis-TMS
• Other names: Pregnan-11-one, 3,17,20,21-tetrakis[(trimethylsilyl)oxy]-, (3α,5β,20S)-; 3,17,20,21-Tetrakis[(trimethylsilyl)oxy]pregnan-11-one, (3α,5β,20S)-; 20α-Cortolone, tetrakis-TMS; α-Cortolone, tetrakis-TMS
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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

Van Den Dool and Kratz 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.

Ludwig-Köhn, Sziedat, et al., 1980
Ludwig-Köhn, H.; Sziedat, A.; Spiteller, G.; Matthaei, D.; Henning, H.V.; Scheler, F., Occurrence of highly oxygen-substituted androgens in hemofiltrates of uremic patients, Biomed. Mass Spectrom., 1980, 7, 7, 284-287, https://doi.org/10.1002/bms.1200070704 . [all data]

Notes

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