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Details of Pregnane-3,20-dione, 5alpha-allo- (2MEOX) MP

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Role Analyte
namePregnane-3,20-dione, 5alpha-allo- (2MEOX) MP
MPIMP IDA294009
isotopomerambient
formulaC23H38N2O2
molecular mass374.561
monoisotopic mass374.29333
InChIInChI=1S/C23H38N2O2/c1-15(24-26-4)19-8-9-20-18-7-6-16-14-17(25-27-5)10-12-22(16,2)21(18)11-13-23(19,20)3/h16,18-21H,6-14H2,1-5H3/b24-15+,25-17+/t16-,18-,19+,20-,21-,22-,23+/m0/s1
InChIKeyBRBZYVRSVCPKEU-IHOGGHLVSA-N
substructure TMS0
substructure TBS0
substructure H3ON2
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,945.26
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27b7619b9d-1c22-43f7-bd87-bd963f307a3d%27)

Synonyms of Pregnane-3,20-dione, 5alpha-allo- (2MEOX) MP

Metabolite mapped to Pregnane-3,20-dione, 5alpha-allo- (2MEOX) MP

Reference spectra of Pregnane-3,20-dione, 5alpha-allo- (2MEOX) MP

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM VAR5Reference Substance
33/30/2011 4:52:37 PM Fiehn_GC_2010 
27/19/2007 11:16:30 AM MDN35Reference Substance
3 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.
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