(1S)-1,5-Anhydro-2-O-(6-deoxy-α-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol

enlarge

Systematic / IUPAC Name: 6-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

ID: Reference8239

Other Names: D-Glucitol, 1,5-anhydro-2-O-(6-deoxy-α-L-mannopyranosyl)-1-C-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-, (1S)-;
2″-O-α-L-Rhamnopyranosyl-isovitexin

Formula: C27H30O14

Spectral Data

(1S)-1,5-Anhydro-2-O-(6-deoxy-α-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol 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 4
No. of Spectra 6969
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/12/2018 7:03:47 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C27H30O14/c1-9-19(32)22(35)24(37)27(38-9)41-26-23(36)20(33)16(8-28)40-25(26)18-13(31)7-15-17(21(18)34)12(30)6-14(39-15)10-2-4-11(29)5-3-10/h2-7,9,16,19-20,22-29,31-37H,8H2,1H3/t9-,16+,19-,20+,22+,23-,24+,25-,26+,27-/m0/s1
InChI Key BGPMMCPSTAYIEL-UTKQBPCESA-N
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C4C(=C3O)C(=O)C=C(O4)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
CAS
Splash
Other Names D-Glucitol, 1,5-anhydro-2-O-(6-deoxy-α-L-mannopyranosyl)-1-C-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-, (1S)-;
2″-O-α-L-Rhamnopyranosyl-isovitexin

In Other Databases

PubChem 23844078
ChemSpider 22913334