Epimedin A

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Systematic / IUPAC Name: 3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

ID: Reference754

Other Names:

Formula: C39H50O20

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

Epimedin A 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 77
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/4/2015 10:52:09 AM
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Identificators

InChI InChI=1S/C39H50O20/c1-14(2)5-10-18-20(54-37-31(50)28(47)25(44)21(12-40)55-37)11-19(42)23-27(46)35(33(57-34(18)23)16-6-8-17(52-4)9-7-16)58-39-36(30(49)24(43)15(3)53-39)59-38-32(51)29(48)26(45)22(13-41)56-38/h5-9,11,15,21-22,24-26,28-32,36-45,47-51H,10,12-13H2,1-4H3/t15?,21?,22?,24-,25-,26+,28?,29?,30?,31?,32?,36?,37-,38+,39+/m1/s1
InChI Key SVXJDTNFJXKATR-STTMOUOHSA-N
Canonical SMILES
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