(4E)-8-Hydroxy-4-(1-hydroxy-2-propanylidene)-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid

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Systematic / IUPAC Name: (4E)-8-Hydroxy-4-(1-hydroxy-2-propanylidene)-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid

ID: Reference7554

Other Names: 1H-3,9a-Methanocyclopent[c]oxocin-4-carboxylic acid, octahydro-4-hydroxy-7-(2-hydroxy-1-methylethylidene)-, (7E)-

Formula: C15H22O5

Spectral Data

(4E)-8-Hydroxy-4-(1-hydroxy-2-propanylidene)-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic 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 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/15/2018 10:37:34 AM
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Identificators

InChI InChI=1S/C15H22O5/c1-9(7-16)10-2-4-14-6-12(20-8-14)15(19,13(17)18)5-3-11(10)14/h11-12,16,19H,2-8H2,1H3,(H,17,18)/b10-9+
InChI Key QYINOGPWFQBOJX-MDZDMXLPSA-N
Canonical SMILES CC(=C1CCC23C1CCC(C(C2)OC3)(C(=O)O)O)CO
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Other Names 1H-3,9a-Methanocyclopent[c]oxocin-4-carboxylic acid, octahydro-4-hydroxy-7-(2-hydroxy-1-methylethylidene)-, (7E)-

In Other Databases

ChemSpider 22842348
PubChem 23815256