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Details of Cembrene

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Role Analyte
nameCembrene
MPIMP IDA195017
isotopomerambient
formulaC20H32
molecular mass272.469
monoisotopic mass272.25040
InChIInChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12+,17-8+,18-10-,19-11+/t20-/m0/s1
InChIKeyDMHADBQKVWXPPM-QXIQWJTQSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,956.9
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2741f9848b-1f92-4929-bd50-32c995663b66%27)

Synonyms of Cembrene

propertyvalue
CAS1898-13-1
ChemSpider ID24534211
PubChem CID11747713
PubChem SID92297683
synonymB000217
synonymCembrene
6 synonym(s)

Metabolite mapped to Cembrene

metabolitestereoisomerisotopomer
Cembrene  ambient
1 metabolite(s)

Reference spectra of Cembrene

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 8/11/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Strehmel N., Hummel J.
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