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Details of Estradiol, 17beta- (2TMS)

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Role Analyte
nameEstradiol, 17beta- (2TMS)
MPIMP IDA269007
isotopomerambient
formulaC24H40O2Si2
molecular mass416.745
monoisotopic mass416.25668
InChIInChI=1S/C24H40O2Si2/c1-24-15-14-20-19-11-9-18(25-27(2,3)4)16-17(19)8-10-21(20)22(24)12-13-23(24)26-28(5,6)7/h9,11,16,20-23H,8,10,12-15H2,1-7H3/t20-,21-,22+,23+,24+/m1/s1
InChIKeyWJUROLKZHWTVGC-DJCPXJLLSA-N
substructure TMS2
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,723.89
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27bec86078-2466-4d2a-bde8-af4d1fea0708%27)

Synonyms of Estradiol, 17beta- (2TMS)

propertyvalue
ChemSpider ID20035641
PubChem CID22211882
2 synonym(s)

Metabolite mapped to Estradiol, 17beta- (2TMS)

metabolitestereoisomerisotopomer
B-Estradiol  ambient
1 metabolite(s)

Reference spectra of Estradiol, 17beta- (2TMS)

replicaentry datedetectionmethodspecies
25/12/2005 12:00:00 AM M[NIST] 
37/19/2007 11:16:30 AM MDN35Reference Substance
45/12/2005 12:00:00 AM M[NIST] 
55/12/2005 12:00:00 AM M[NIST] 
93/30/2011 4:52:37 PM Fiehn_GC_2010 
67/19/2007 11:16:30 AM VAR5Reference Substance
71/25/2005 12:00:00 AM M[MOR] 
7 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 8/11/2011 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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service last updated 31/08/2021 © 2008-2014 Golm Metabolome Database - All rights reserved
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