Dataset

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

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011826 contains the MS mass spectrum of (E)-(3R)-(1'R,2'S,5'R)-8'-PHENYLMENTHYL 3-BENZYLAMINO-5-PHENYL-4-PENTENOATE with the InChIkey IKGWRXZRUNRTEK-PJSYMAIFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C34H41NO2/c1-26-19-21-30(34(2,3)29-17-11-6-12-18-29)23-32(26)37-33(36)24-31(22-20-27-13-7-4-8-14-27)35-25-28-15-9-5-10-16-28/h4-18,20,22,26,30-32,35H,19,21,23-25H2,1-3H3/b22-20+/t26-,30+,31-,32+/m0/s1
SMILES c(c4)(cccc4)C([H])=C(C(NCc(c3)cccc3)([H])CC(OC([H])(C1)C([H])(C)CCC(C(c(c2)cccc2)(C)C)1[H])=O)[H]
InChI Key IKGWRXZRUNRTEK-PJSYMAIFSA-N
Molecular Formula C34H41NO2
Exact Mass 495.314 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-JP011826
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MetadataPublished 2016-01-19
Related Molecule
  • [(1R,2S,5R)-2-methyl-5-(2-phenylpropan-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
    101663562 PubChem
    J586.368F Nikkaji
    The data in this table is sourced from UniChem at EBI.