Icariin

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Systematic / IUPAC Name: 3-[(6-Deoxyhexopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4-oxo-4H-chromen-7-yl hexopyranoside

ID: Reference749

Other Names: 4H-1-Benzopyran-4-one, 3-((6-deoxy-α-L-mannopyranosyl)oxy)-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-;
3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside

Formula: C33H40O15

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

Icariin 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; Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 3333
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 11/30/2016 8:03:30 AM
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Identificators

InChI InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+,32-,33+/m0/s1
InChI Key TZJALUIVHRYQQB-XLRXWWTNSA-N
Canonical SMILES
CAS 489327
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Other Names 4H-1-Benzopyran-4-one, 3-((6-deoxy-α-L-mannopyranosyl)oxy)-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-;
3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-7-yl β-D-glucopyranoside

In Other Databases

ChemSpider 4477421
KEGG C17555
ChEMBL CHEMBL553204
PubChem 5318997
ChemIDPlus 000489327
Wikipedia Icariin