(1S,5R,6S)-5-Acetoxy-3-(hydroxymethyl)-6-isopropyl-4-oxo-2-cyclohexen-1-yl (2E)-2-methyl-2-butenoate

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Systematic / IUPAC Name: [(1S,5R,6S)-5-Acetyloxy-3-(hydroxymethyl)-4-oxo-6-propan-2-ylcyclohex-2-en-1-yl] (E)-2-methylbut-2-enoate

ID: Reference7841

Other Names: 2-Butenoic acid, 2-methyl-, (1S,5R,6S)-5-(acetyloxy)-3-(hydroxymethyl)-6-(1-methylethyl)-4-oxo-2-cyclohexen-1-yl ester, (2E)-

Formula: C17H24O6

Spectral Data

(1S,5R,6S)-5-Acetoxy-3-(hydroxymethyl)-6-isopropyl-4-oxo-2-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 4/23/2018 12:29:02 PM
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Identificators

InChI InChI=1S/C17H24O6/c1-6-10(4)17(21)23-13-7-12(8-18)15(20)16(22-11(5)19)14(13)9(2)3/h6-7,9,13-14,16,18H,8H2,1-5H3/b10-6+/t13-,14-,16+/m0/s1
InChI Key RCCXCTSYJHNSRE-KOPIJTNESA-N
Canonical SMILES CC=C(C)C(=O)OC1C=C(C(=O)C(C1C(C)C)OC(=O)C)CO
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Other Names 2-Butenoic acid, 2-methyl-, (1S,5R,6S)-5-(acetyloxy)-3-(hydroxymethyl)-6-(1-methylethyl)-4-oxo-2-cyclohexen-1-yl ester, (2E)-

In Other Databases

PubChem 13818684
ChemSpider 22913789