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Details of Pregnane-3alpha-ol-20-one, 5alpha- (1MEOX) (1TMS)

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Role Analyte
namePregnane-3alpha-ol-20-one, 5alpha- (1MEOX) (1TMS)
MPIMP IDA279011
isotopomerambient
formulaC25H45NO2Si
molecular mass419.717
monoisotopic mass419.32196
InChIInChI=1S/C25H45NO2Si/c1-17(26-27-4)21-10-11-22-20-9-8-18-16-19(28-29(5,6)7)12-14-24(18,2)23(20)13-15-25(21,22)3/h18-23H,8-16H2,1-7H3/b26-17+/t18-,19+,20-,21+,22-,23-,24-,25+/m0/s1
InChIKeyMFOIVZWKNBPHHX-JXHVKLGVSA-N
substructure TMS1
substructure TBS0
substructure H3ON1
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,793.72
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%278aedb9a2-b688-4f49-bff9-acfe3a7ea613%27)

Synonyms of Pregnane-3alpha-ol-20-one, 5alpha- (1MEOX) (1TMS)

Metabolite mapped to Pregnane-3alpha-ol-20-one, 5alpha- (1MEOX) (1TMS)

Reference spectra of Pregnane-3alpha-ol-20-one, 5alpha- (1MEOX) (1TMS)

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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