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Details of Pregn-4-ene-11beta-17alpha-diol-3-20-dione (2MEOX) (1TMS) BP

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Role Analyte
namePregn-4-ene-11beta-17alpha-diol-3-20-dione (2MEOX) (1TMS) BP
MPIMP IDA331008
isotopomerambient
formulaC26H44N2O4Si
molecular mass476.725
monoisotopic mass476.30703
InChIInChI=1S/C26H44N2O4Si/c1-17(27-30-4)26(29)14-12-21-20-10-9-18-15-19(28-31-5)11-13-24(18,2)23(20)22(16-25(21,26)3)32-33(6,7)8/h15,20-23,29H,9-14,16H2,1-8H3/b27-17-,28-19-/t20-,21-,22-,23+,24-,25-,26-/m0/s1
InChIKeyXDDCEJMGFUSPEF-UHQCBYTISA-N
substructure TMS1
substructure TBS0
substructure H3ON2
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)3,315.15
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27ea1cb222-706b-4cff-9fa7-ec203193b1bb%27)

Synonyms of Pregn-4-ene-11beta-17alpha-diol-3-20-dione (2MEOX) (1TMS) BP

Metabolite mapped to Pregn-4-ene-11beta-17alpha-diol-3-20-dione (2MEOX) (1TMS) BP

Reference spectra of Pregn-4-ene-11beta-17alpha-diol-3-20-dione (2MEOX) (1TMS) BP

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM MDN35Reference Substance
27/19/2007 11:16:30 AM VAR5Reference 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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