(6E)-10-Heptyl-5,8,9-trihydroxy-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one

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Systematic / IUPAC Name: (5E)-2-Heptyl-3,4,7-trihydroxy-2,3,4,7,8,9-hexahydrooxecin-10-one

ID: Reference8010

Other Names: 2H-Oxecin-2-one, 10-heptyl-3,4,5,8,9,10-hexahydro-5,8,9-trihydroxy-, (6E)-

Formula: C16H28O5

Spectral Data

(6E)-10-Heptyl-5,8,9-trihydroxy-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 418
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/31/2018 8:32:39 AM
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Identificators

InChI InChI=1S/C16H28O5/c1-2-3-4-5-6-7-14-16(20)13(18)10-8-12(17)9-11-15(19)21-14/h8,10,12-14,16-18,20H,2-7,9,11H2,1H3/b10-8+
InChI Key NGMQJZCKXKTQID-CSKARUKUSA-N
Canonical SMILES CCCCCCCC1C(C(C=CC(CCC(=O)O1)O)O)O
CAS
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Other Names 2H-Oxecin-2-one, 10-heptyl-3,4,5,8,9,10-hexahydro-5,8,9-trihydroxy-, (6E)-

In Other Databases

ChemSpider 22943208
PubChem 23786306