Dataset

(1S,2R,3E,7E,11E)-2,17-DIHYDROXYCEMBRA-3,7,11,15-TETRAENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010643 contains the MS mass spectrum of (1S,2R,3E,7E,11E)-2,17-DIHYDROXYCEMBRA-3,7,11,15-TETRAENE with the InChIkey VUIHPHBVTNHHIN-IDCFYYSISA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H32O2/c1-15-7-5-9-16(2)11-12-19(18(4)14-21)20(22)13-17(3)10-6-8-15/h8-9,13,19-22H,4-7,10-12,14H2,1-3H3/b15-8+,16-9+,17-13+/t19-,20+/m0/s1
SMILES OCC(=C)C([H])(C1)C([H])(O)C([H])=C(C)CCC([H])=C(C)CCC([H])=C(C)C1
InChI Key VUIHPHBVTNHHIN-IDCFYYSISA-N
Molecular Formula C20H32O2
Exact Mass 304.240 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP010643
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1R,2E,6E,10E,14S)-14-(3-hydroxyprop-1-en-2-yl)-3,7,11-trimethylcyclotetradeca-2,6,10-trien-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    134774359 PubChem
    The data in this table is sourced from UniChem at EBI.