Dihydromethysticin

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Systematic / IUPAC Name: (6S)-6-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one

ID: Reference7883

Other Names: (+)-Dihydromethysticin;
7,8-Dihydromethysticin;
Methysticin, 7,8-dihydro-;
(2S)-2-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one;
2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-[3,4-(methylenedioxy)phenethyl]-, (S)-

Formula: C15H16O5

Spectral Data

Dihydromethysticin 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 2
No. of Spectra 1894
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/2/2018 12:06:33 PM
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Identificators

InChI InChI=1S/C15H16O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h3,5-6,8,11H,2,4,7,9H2,1H3/t11-/m0/s1
InChI Key RSIWXFIBHXYNFM-NSHDSACASA-N
Canonical SMILES COC1=CC(=O)OC(C1)CCC2=CC3=C(C=C2)OCO3
CAS 19902911
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Other Names (+)-Dihydromethysticin;
7,8-Dihydromethysticin;
Methysticin, 7,8-dihydro-;
(2S)-2-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one;
2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-[3,4-(methylenedioxy)phenethyl]-, (S)- ;
2H-Pyran-2-one, 6-[2-(1,3-benzodioxol-5-yl)ethyl]-5,6-dihydro-4-methoxy-, (S)-

In Other Databases

KEGG C09926
ChEMBL CHEMBL576066
PubChem 88308
ChEBI CHEBI:4573
ChemIDPlus 019902911
ChemSpider 79667