(6E)-4,5,8-Trihydroxy-10-(2-hydroxypentyl)-3,3-dimethyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one

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Systematic / IUPAC Name: (5E)-4,7,8-Trihydroxy-2-(2-hydroxypentyl)-9,9-dimethyl-3,4,7,8-tetrahydro-2H-oxecin-10-one

ID: Reference7962

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

Formula: C16H28O6

Spectral Data

(6E)-4,5,8-Trihydroxy-10-(2-hydroxypentyl)-3,3-dimethyl-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 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/16/2018 6:22:09 AM
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Identificators

InChI InChI=1S/C16H28O6/c1-4-5-10(17)8-12-9-11(18)6-7-13(19)14(20)16(2,3)15(21)22-12/h6-7,10-14,17-20H,4-5,8-9H2,1-3H3/b7-6+
InChI Key SGGHIPLOACRCAZ-VOTSOKGWSA-N
Canonical SMILES CCCC(CC1CC(C=CC(C(C(C(=O)O1)(C)C)O)O)O)O
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Other Names 2H-Oxecin-2-one, 3,4,5,8,9,10-hexahydro-4,5,8-trihydroxy-10-(2-hydroxypentyl)-3,3-dimethyl-, (6E)-

In Other Databases

ChemSpider 29814617
PubChem 56773907