3α,17α,21-trihydroxy-5α-pregnane-11,20-dione

• Formula: C₁₉H₂₈O₅
• Molecular weight: 336.4226
• IUPAC Standard InChI: InChI=1S/C19H28O5/c20-9-17(23)19(24)6-5-13-14-3-1-10-7-11(21)2-4-12(10)18(14)16(22)8-15(13)19/h10-15,18,20-21,24H,1-9H2/t10-,11+,12?,13?,14?,15?,18?,19+/m1/s1 Copy

  
• IUPAC Standard InChIKey: OHOZNBWGXNMTTI-GCSXCLADSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • 3α,17α,21-trihydroxy-5β-pregnane-11,20-dione
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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, 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.

Vrbanac, Sweeley, et al., 1983
Vrbanac, J.J.; Sweeley, C.C.; Pinkston, J.D., Automated metabolic profiling analysis of urinary steroids by a gas chromatography mass spectrometry data system, Biomed. Mass Spectrom., 1983, 10, 3, 155-161, https://doi.org/10.1002/bms.1200100309 . [all data]

Notes

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