(2E)-4-Hydroxy-4-{4-hydroxy-2-[(1E)-6-hydroxy-1-hepten-1-yl]cyclopentyl}-2-butenoic acid

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Systematic / IUPAC Name: (2E)-4-Hydroxy-4-{4-hydroxy-2-[(1E)-6-hydroxy-1-hepten-1-yl]cyclopentyl}-2-butenoic acid

ID: Reference7531

Other Names: 2-Butenoic acid, 4-hydroxy-4-{4-hydroxy-2-[(1E)-6-hydroxy-1-hepten-1-yl]cyclopentyl}-, (2E)- ;
(2E)-4-Hydroxy-4-{4-hydroxy-2-[(1E)-6-hydroxyhept-1-en-1-yl]cyclopentyl}but-2-enoic acid

Formula: C16H26O5

Spectral Data

(2E)-4-Hydroxy-4-{4-hydroxy-2-[(1E)-6-hydroxy-1-hepten-1-yl]cyclopentyl}-2-butenoic 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
No. of Spectral Trees 1
No. of Spectra 112
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/13/2018 1:49:59 PM
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Identificators

InChI InChI=1S/C16H26O5/c1-11(17)5-3-2-4-6-12-9-13(18)10-14(12)15(19)7-8-16(20)21/h4,6-8,11-15,17-19H,2-3,5,9-10H2,1H3,(H,20,21)/b6-4+,8-7+
InChI Key JFMRAARESGPLQF-GFGVWQOPSA-N
Canonical SMILES CC(CCCC=CC1CC(CC1C(C=CC(=O)O)O)O)O
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Other Names 2-Butenoic acid, 4-hydroxy-4-{4-hydroxy-2-[(1E)-6-hydroxy-1-hepten-1-yl]cyclopentyl}-, (2E)- ;
(2E)-4-Hydroxy-4-{4-hydroxy-2-[(1E)-6-hydroxyhept-1-en-1-yl]cyclopentyl}but-2-enoic acid

In Other Databases

ChemSpider 29814049
PubChem 51136282