Koninginin D

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Systematic / IUPAC Name: (2S,4R,8R)-4,8-Dihydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydro-5H-chromen-5-one

ID: Reference7605

Other Names: 5H-1-Benzopyran-5-one, 2,3,4,6,7,8-hexahydro-4,8-dihydroxy-2-[(1S)-1-hydroxyheptyl]-, (2S,4R,8R)-;
(2S,4R,8R)-4,8-Dihydroxy-2-((S)-1-hydroxyheptyl)-3,4,7,8-tetrahydro-2H-chromen-5(6H)-one

Formula: C16H26O5

Spectral Data

Koninginin D 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 62
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/21/2018 12:32:13 PM
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Identificators

InChI InChI=1S/C16H26O5/c1-2-3-4-5-6-10(17)14-9-13(20)15-11(18)7-8-12(19)16(15)21-14/h10,12-14,17,19-20H,2-9H2,1H3/t10-,12+,13+,14-/m0/s1
InChI Key YSFPWLQJKYZZEG-ASEORRQLSA-N
Canonical SMILES CCCCCCC(C1CC(C2=C(O1)C(CCC2=O)O)O)O
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Other Names 5H-1-Benzopyran-5-one, 2,3,4,6,7,8-hexahydro-4,8-dihydroxy-2-[(1S)-1-hydroxyheptyl]-, (2S,4R,8R)-;
(2S,4R,8R)-4,8-Dihydroxy-2-((S)-1-hydroxyheptyl)-3,4,7,8-tetrahydro-2H-chromen-5(6H)-one

In Other Databases

PubChem 10968536
ChemSpider 9143747
ChEMBL CHEMBL467402