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Details of Pregn-5-ene-3,21-diol-20-one (1MEOX) (2TMS)

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Role Analyte
namePregn-5-ene-3,21-diol-20-one (1MEOX) (2TMS)
MPIMP IDA304008
isotopomerambient
formulaC28H51NO3Si2
molecular mass505.881
monoisotopic mass505.34075
InChIInChI=1S/C28H51NO3Si2/c1-27-16-14-21(32-34(7,8)9)18-20(27)10-11-22-23-12-13-25(28(23,2)17-15-24(22)27)26(29-30-3)19-31-33(4,5)6/h10,21-25H,11-19H2,1-9H3/b29-26+/t21?,22-,23-,24-,25+,27-,28-/m0/s1
InChIKeyUEUVXEVIVZCSKS-UNDUAARFSA-N
substructure TMS2
substructure TBS0
substructure H3ON1
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)3,042.78
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27af879b2e-f252-49f4-a56c-689d81894c16%27)

Synonyms of Pregn-5-ene-3,21-diol-20-one (1MEOX) (2TMS)

Metabolite mapped to Pregn-5-ene-3,21-diol-20-one (1MEOX) (2TMS)

Reference spectra of Pregn-5-ene-3,21-diol-20-one (1MEOX) (2TMS)

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM VAR5Reference Substance
27/19/2007 11:16:30 AM MDN35Reference Substance
2 spectrum(a)
compound timestamp information
deposited at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/11/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
service last updated 04/12/2020 © 2008-2014 Golm Metabolome Database - All rights reserved
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