Pinolidoxin

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Systematic / IUPAC Name: (6E)-8,9-Dihydroxy-2-oxo-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-3-yl (2E,4E)-2,4-hexadienoate

ID: Reference7997

Other Names: 2,4-Hexadienoic acid, (6E)-3,4,5,8,9,10-hexahydro-8,9-dihydroxy-2-oxo-10-propyl-2H-oxecin-3-yl ester, (2E,4E)-

Formula: C18H26O6

Spectral Data

Pinolidoxin 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
No. of Spectral Trees 1
No. of Spectra 62
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/24/2018 6:03:07 AM
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Identificators

InChI InChI=1S/C18H26O6/c1-3-5-6-12-16(20)23-15-11-8-7-10-13(19)17(21)14(9-4-2)24-18(15)22/h3,5-7,10,12-15,17,19,21H,4,8-9,11H2,1-2H3/b5-3+,10-7+,12-6+
InChI Key TXPRZPDVUZCNLB-YECGNMMBSA-N
Canonical SMILES CCCC1C(C(C=CCCC(C(=O)O1)OC(=O)C=CC=CC)O)O
CAS
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Other Names 2,4-Hexadienoic acid, (6E)-3,4,5,8,9,10-hexahydro-8,9-dihydroxy-2-oxo-10-propyl-2H-oxecin-3-yl ester, (2E,4E)-

In Other Databases

ChemSpider 4444609
ChEBI CHEBI:8223
KEGG C08503
PubChem 5281169