3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-8-yl acetate

enlarge

Systematic / IUPAC Name: {2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-8-yl} acetate

ID: Reference8078

Other Names: 4H-1-Benzopyran-4-one, 8-(acetyloxy)-3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-

Formula: C24H24O13

Spectral Data

3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-chromen-8-yl acetate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 6/15/2018 9:49:22 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C24H24O13/c1-8-16(29)18(31)19(32)24(34-8)37-23-17(30)15-13(28)7-14(33-3)21(35-9(2)25)22(15)36-20(23)10-4-5-11(26)12(27)6-10/h4-8,16,18-19,24,26-29,31-32H,1-3H3/t8-,16-,18+,19+,24-/m0/s1
InChI Key XCQNRWMPPLJRCM-PZSVWFBASA-N
Canonical SMILES CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3OC(=O)C)OC)O)C4=CC(=C(C=C4)O)O)O)O)O
CAS
Splash
Other Names 4H-1-Benzopyran-4-one, 8-(acetyloxy)-3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-

In Other Databases

ChemSpider 22913576
PubChem 45359796