Dataset

(E)-(3R)-(1'R,2'S,5'R)-8'-BETA-NAPHTHYLMENTHYL 3-BENZYLAMINO-5-PHENYL-4-PENTENOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011825 contains the MS mass spectrum of (E)-(3R)-(1'R,2'S,5'R)-8'-BETA-NAPHTHYLMENTHYL 3-BENZYLAMINO-5-PHENYL-4-PENTENOATE with the InChIkey LTBKHILYSUKMKP-XGDBSINPSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C38H43NO2/c1-28-18-21-34(38(2,3)33-22-20-31-16-10-11-17-32(31)24-33)25-36(28)41-37(40)26-35(23-19-29-12-6-4-7-13-29)39-27-30-14-8-5-9-15-30/h4-17,19-20,22-24,28,34-36,39H,18,21,25-27H2,1-3H3/b23-19+/t28-,34+,35-,36+/m0/s1
SMILES c(c5)c(c4cc5)ccc(c4)C(C(C1)([H])CC(OC(=O)CC([H])(C([H])=C(c(c3)cccc3)[H])NCc(c2)cccc2)([H])C([H])(C)C1)(C)C
InChI Key LTBKHILYSUKMKP-XGDBSINPSA-N
Molecular Formula C38H43NO2
Exact Mass 545.329 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-JP011825
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MetadataPublished 2016-01-19
Related Molecule
  • [(1R,2S,5R)-2-methyl-5-(2-naphthalen-2-ylpropan-2-yl)cyclohexyl] (E,3R)-3-(benzylamino)-5-phenylpent-4-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    101663564 PubChem
    J586.370H Nikkaji
    The data in this table is sourced from UniChem at EBI.