Sakuranin

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Systematic / IUPAC Name: (2S)-2-(4-Hydroxyphenyl)-7-methoxy-4-oxo-3,4-dihydro-2H-chromen-5-yl β-D-glucopyranoside

ID: Reference3486

Other Names: (S)-5-β-D-Glucopyranosyloxy-2-(4-hydroxy-phenyl)-7-methoxy-chroman-4-one;
(S)-5-(β-D-Glucopyranosyloxy)-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one;
(2S)-2-(4-Hydroxyphenyl)-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl β-D-glucopyranoside;
4H-1-Benzopyran-4-one, 5-(β-D-glucopyranosyloxy)-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-, (S)-

Formula: C22H24O10

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

Sakuranin 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 Elite
No. of Spectral Trees 1
No. of Spectra 77
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 12/14/2015 7:08:56 AM
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Identificators

InChI InChI=1S/C22H24O10/c1-29-12-6-15-18(13(25)8-14(30-15)10-2-4-11(24)5-3-10)16(7-12)31-22-21(28)20(27)19(26)17(9-23)32-22/h2-7,14,17,19-24,26-28H,8-9H2,1H3/t14-,17+,19+,20-,21+,22+/m0/s1
InChI Key NEPMMBQHELYZIW-YMTXFHFDSA-N
Canonical SMILES COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O
CAS 529395
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Other Names (S)-5-β-D-Glucopyranosyloxy-2-(4-hydroxy-phenyl)-7-methoxy-chroman-4-one;
(S)-5-(β-D-Glucopyranosyloxy)-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one;
(2S)-2-(4-Hydroxyphenyl)-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl β-D-glucopyranoside;
4H-1-Benzopyran-4-one, 5-(β-D-glucopyranosyloxy)-2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-, (S)-

In Other Databases

PubChem 73607
ChemSpider 66275
ChEBI CHEBI:81054
Wikipedia Sakuranin
KEGG C17391
ChemIDPlus 000529395