(2E,6E,12E)-18-(2,6-Dioxo-4-piperidinyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxo-2,6,12-octadecatrienoic acid

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Systematic / IUPAC Name: (2E,6E,12E)-18-(2,6-Dioxopiperidin-4-yl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,12-trienoic acid

ID: Reference7591

Other Names: 2,6,12-Octadecatrienoic acid, 18-(2,6-dioxo-4-piperidinyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxo-, (2E,6E,12E)-

Formula: C27H41NO8

Spectral Data

(2E,6E,12E)-18-(2,6-Dioxo-4-piperidinyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxo-2,6,12-octadecatrienoic acid 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 3/20/2018 11:50:18 AM
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Identificators

InChI InChI=1S/C27H41NO8/c1-17(21(29)11-9-10-20-15-23(30)28-24(31)16-20)14-18(2)26(34)19(3)27(35)22(36-4)12-7-5-6-8-13-25(32)33/h7-8,12-14,17,19-20,22,26-27,34-35H,5-6,9-11,15-16H2,1-4H3,(H,32,33)(H,28,30,31)/b12-7+,13-8+,18-14+
InChI Key YQDJUXPUIRGKNV-MNOLRWOYSA-N
Canonical SMILES CC(C=C(C)C(C(C)C(C(C=CCCC=CC(=O)O)OC)O)O)C(=O)CCCC1CC(=O)NC(=O)C1
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Other Names 2,6,12-Octadecatrienoic acid, 18-(2,6-dioxo-4-piperidinyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxo-, (2E,6E,12E)-

In Other Databases

ChemSpider 7982010
PubChem 9806250