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Details of Neoabietic acid (1TMS)

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Role Analyte
nameNeoabietic acid (1TMS)
MPIMP IDA261011
isotopomerambient
formulaC23H38O2Si
molecular mass374.633
monoisotopic mass374.26411
InChIInChI=1S/C23H38O2Si/c1-16(2)17-9-11-19-18(15-17)10-12-20-22(19,3)13-8-14-23(20,4)21(24)25-26(5,6)7/h15,19-20H,8-14H2,1-7H3/t19-,20?,22-,23-/m1/s1
InChIKeySRJBVXFEUKREKF-FQMOWQLGSA-N
substructure TMS1
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,556.19
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27bde26303-1ec5-4cf6-9782-75bf429afb1d%27)

Synonyms of Neoabietic acid (1TMS)

propertyvalue
synonymB000741
synonymNeoabietic acid (1TMS)
2 synonym(s)

Metabolite mapped to Neoabietic acid (1TMS)

Reference spectra of Neoabietic acid (1TMS)

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM MDN35Reference Substance
26/10/2009 1:05:47 PM 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.
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