7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->6)]-β-D-glucopyranoside
7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->6)]-β-D-glucopyranoside Structure
Systematic / IUPAC Name: 3-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
ID: Reference8504
Other Names: 4H-1-Benzopyran-4-one, 3-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[6-deoxy-α-L-mannopyranosyl-(1->6)]-β-D-glucopyranosyl]oxy]-7-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyph enyl)-6-methoxy-
Formula: C40H52O24
Spectral Data
7-[(6-Deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyranosyl-(1->6)]-β-D-glucopyranoside mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 2272 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/22/2019 7:22:55 AM |
Identificators
| InChI | InChI=1S/C40H52O24/c1-11-20(42)26(48)30(52)37(57-11)56-10-18-23(45)29(51)36(64-39-32(54)28(50)22(44)13(3)59-39)40(62-18)63-35-25(47)19-16(60-33(35)14-5-7-15(41)8-6-14)9-17(34(55-4)24(19)46)61-38-31(53)27(49)21(43)12(2)58-38/h5-9,11-13,18,20-23,26-32,36-46,48-54H,10H2,1-4H3/t11-,12-,13-,18+,20-,21-,22-,23+,26+,27+,28+,29-,30+,31+,32+,36+,37+,38-,39-,40-/m0/s1 |
| InChI Key | TXZUPPVCNIMVHW-AJMZACEDSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=C(C(=C4C3=O)O)OC)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)O)OC7C(C(C(C(O7)C)O)O)O)O)O)O)O)O |
| CAS | |
| Splash | |
| Other Names | 4H-1-Benzopyran-4-one, 3-[[O-6-deoxy-α-L-mannopyranosyl-(1->2)-O-[6-deoxy-α-L-mannopyranosyl-(1->6)]-β-D-glucopyranosyl]oxy]-7-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyph enyl)-6-methoxy- |