3-(5-Hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-10-yl)hexanoic acid

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Systematic / IUPAC Name: 3-(5-Hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl)hexanoic acid

ID: Reference7785

Other Names: Apetalic acid;
2H,6H-Benzo[1,2-b:5,4-b']dipyran-10-propanoic acid, 7,8-dihydro-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-β-propyl-

Formula: C22H28O6

Spectral Data

3-(5-Hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-10-yl)hexanoic 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 4/16/2018 11:15:22 AM
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Identificators

InChI InChI=1S/C22H28O6/c1-6-7-13(10-15(23)24)16-20-14(8-9-22(4,5)28-20)19(26)17-18(25)11(2)12(3)27-21(16)17/h8-9,11-13,26H,6-7,10H2,1-5H3,(H,23,24)
InChI Key JZWLSXINEVHWEP-UHFFFAOYSA-N
Canonical SMILES CCCC(CC(=O)O)C1=C2C(=C(C3=C1OC(C=C3)(C)C)O)C(=O)C(C(O2)C)C
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Other Names Apetalic acid;
2H,6H-Benzo[1,2-b:5,4-b']dipyran-10-propanoic acid, 7,8-dihydro-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-β-propyl-

In Other Databases

PubChem 341189
ChemSpider 302358