(1R,5S,6S)-5-Acetoxy-3-(hydroxymethyl)-6-isopropyl-2-oxo-3-cyclohexen-1-yl (2E)-2-methyl-2-butenoate

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Systematic / IUPAC Name: [(1R,5S,6S)-5-Acetyloxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (E)-2-methylbut-2-enoate

ID: Reference7960

Other Names: 2-Butenoic acid, 2-methyl-, (1R,5S,6S)-5-(acetyloxy)-3-(hydroxymethyl)-6-(1-methylethyl)-2-oxo-3-cyclohexen-1-yl ester, (2E)-

Formula: C17H24O6

Spectral Data

(1R,5S,6S)-5-Acetoxy-3-(hydroxymethyl)-6-isopropyl-2-oxo-3-cyclohexen-1-yl (2E)-2-methyl-2-butenoate 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 5/15/2018 1:43:26 PM
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Identificators

InChI InChI=1S/C17H24O6/c1-6-10(4)17(21)23-16-14(9(2)3)13(22-11(5)19)7-12(8-18)15(16)20/h6-7,9,13-14,16,18H,8H2,1-5H3/b10-6+/t13-,14-,16+/m0/s1
InChI Key NUENJLVLKHHYJS-KOPIJTNESA-N
Canonical SMILES CC=C(C)C(=O)OC1C(C(C=C(C1=O)CO)OC(=O)C)C(C)C
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Other Names 2-Butenoic acid, 2-methyl-, (1R,5S,6S)-5-(acetyloxy)-3-(hydroxymethyl)-6-(1-methylethyl)-2-oxo-3-cyclohexen-1-yl ester, (2E)-

In Other Databases

PubChem 15699870
ChemSpider 22913725