Dataset

(E,E)-(1'R,2'S,5'R)-8'-PHENYLMENTHYL 5-PHENYL-2,4-PENTADIENOATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP011824 contains the MS mass spectrum of (E,E)-(1'R,2'S,5'R)-8'-PHENYLMENTHYL 5-PHENYL-2,4-PENTADIENOATE with the InChIkey ZZWVPAWDVOGMCG-NYXDWXMYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H32O2/c1-21-18-19-24(27(2,3)23-15-8-5-9-16-23)20-25(21)29-26(28)17-11-10-14-22-12-6-4-7-13-22/h4-17,21,24-25H,18-20H2,1-3H3/b14-10+,17-11+/t21-,24+,25+/m0/s1
SMILES [H]C(C2)(CC(OC(=O)C([H])=C([H])C([H])=C([H])c(c3)cccc3)(C(C2)([H])C)[H])C(c(c1)cccc1)(C)C
InChI Key ZZWVPAWDVOGMCG-NYXDWXMYSA-N
Molecular Formula C27H32O2
Exact Mass 388.240 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-JP011824
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:25:52.649663
MetadataModified 2025-02-09T11:50:13.169488
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J586.377E Nikkaji
101663567 PubChem
The data in this table is sourced from UniChem at EBI.