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Details of Pregn-4-ene-20alpha-ol-3-one (1MEOX) (1TMS) BP

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Role Analyte
namePregn-4-ene-20alpha-ol-3-one (1MEOX) (1TMS) BP
MPIMP IDA300007
isotopomerambient
formulaC25H43NO2Si
molecular mass417.701
monoisotopic mass417.30631
InChIInChI=1S/C25H43NO2Si/c1-17(28-29(5,6)7)21-10-11-22-20-9-8-18-16-19(26-27-4)12-14-24(18,2)23(20)13-15-25(21,22)3/h16-17,20-23H,8-15H2,1-7H3/b26-19-/t17-,20-,21+,22-,23-,24-,25+/m0/s1
InChIKeyROBQPFGUYCNUGC-HCKQEVRDSA-N
substructure TMS1
substructure TBS0
substructure H3ON1
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)3,009.11
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%279c1e3259-2618-4989-9313-500b9311bb3c%27)

Synonyms of Pregn-4-ene-20alpha-ol-3-one (1MEOX) (1TMS) BP

Metabolite mapped to Pregn-4-ene-20alpha-ol-3-one (1MEOX) (1TMS) BP

Reference spectra of Pregn-4-ene-20alpha-ol-3-one (1MEOX) (1TMS) BP

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 8/9/2011 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 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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