(-)-Spiculisporic acid

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Systematic / IUPAC Name: (2S)-2-[(1S)-1-Carboxyundecyl]-5-oxotetrahydro-2-furancarboxylic acid

ID: Reference7979

Other Names: Supiculisporic acid;
[S-(R*,R*)]-2-Carboxy-α-decyltetrahydro-5-oxo-2-furanacetic acid ;
(2S)-2-[(2S)-1-Hydroxy-1-oxododecan-2-yl]-5-oxooxolane-2-carboxylic acid;
2-Furanacetic acid, 2-carboxy-α-decyltetrahydro-5-oxo-, [S-(R*,R*)]-

Formula: C17H28O6

Spectral Data

(-)-Spiculisporic 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 137
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/17/2018 10:47:38 AM
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Identificators

InChI InChI=1S/C17H28O6/c1-2-3-4-5-6-7-8-9-10-13(15(19)20)17(16(21)22)12-11-14(18)23-17/h13H,2-12H2,1H3,(H,19,20)(H,21,22)/t13-,17+/m1/s1
InChI Key TUXHHVJPGQUPCF-DYVFJYSZSA-N
Canonical SMILES CCCCCCCCCCC(C(=O)O)C1(CCC(=O)O1)C(=O)O
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Other Names Supiculisporic acid;
[S-(R*,R*)]-2-Carboxy-α-decyltetrahydro-5-oxo-2-furanacetic acid ;
(2S)-2-[(2S)-1-Hydroxy-1-oxododecan-2-yl]-5-oxooxolane-2-carboxylic acid;
2-Furanacetic acid, 2-carboxy-α-decyltetrahydro-5-oxo-, [S-(R*,R*)]-

In Other Databases

PubChem 73448
ChemIDPlus 000469772
ChemSpider 66151
Wikipedia Spiculisporic acid