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Details of Pregn-4-ene-11beta-17alpha-diol-3-20-dione (2MEOX) (2TMS) MP

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Role Analyte
namePregn-4-ene-11beta-17alpha-diol-3-20-dione (2MEOX) (2TMS) MP
MPIMP IDA312003
isotopomerambient
formulaC29H52N2O4Si2
molecular mass548.906
monoisotopic mass548.34656
InChIInChI=1S/C29H52N2O4Si2/c1-20(30-32-4)29(35-37(9,10)11)17-15-24-23-13-12-21-18-22(31-33-5)14-16-27(21,2)26(23)25(19-28(24,29)3)34-36(6,7)8/h18,23-26H,12-17,19H2,1-11H3/b30-20+,31-22+/t23-,24-,25-,26+,27-,28-,29-/m0/s1
InChIKeyYLVHVMDZXDBGOJ-YBIOYKRZSA-N
substructure TMS2
substructure TBS0
substructure H3ON2
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)3,125.39
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2706f8dd67-e564-4150-b140-99dc07456877%27)

Synonyms of Pregn-4-ene-11beta-17alpha-diol-3-20-dione (2MEOX) (2TMS) MP

Metabolite mapped to Pregn-4-ene-11beta-17alpha-diol-3-20-dione (2MEOX) (2TMS) MP

Reference spectra of Pregn-4-ene-11beta-17alpha-diol-3-20-dione (2MEOX) (2TMS) MP

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.
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