Bellissaponin BS1
Bellissaponin BS1 Structure
Systematic / IUPAC Name: [(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-Dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4R,
ID: Reference8130
Other Names:
β-D-Galactopyranose, O-6-deoxy-α-L-mannopyranosyl-(1->3)-O-β-D-xylopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-1-O-[(2β,3β,16α)-3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2,16,23-trihydroxy-28-oxoolean-12-en-28-yl]-;
6-Deoxy-α-L-mannopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-1-O-{(2β,3β,16α)-3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2,16,23-trihydroxy-28-oxoolean-12-en-28-yl}-β-D-galactopyranose
Formula: C59H96O26
Spectral Data
Bellissaponin BS1 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 | 155 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/6/2018 12:27:56 PM |
Identificators
| InChI | InChI=1S/C59H96O26/c1-22-33(64)36(67)40(71)49(77-22)82-45-29(62)20-76-48(43(45)74)81-44-25(4)80-50(42(73)39(44)70)83-46-38(69)35(66)24(3)79-52(46)85-53(75)59-16-15-54(5,6)17-27(59)26-11-12-31-55(7)18-28(61)47(84-51-41(72)37(68)34(65)23(2)78-51)56(8,21-60)30(55)13-14-57(31,9)58(26,10)19-32(59)63/h11,22-25,27-52,60-74H,12-21H2,1-10H3/t22-,23-,24+,25-,27-,28-,29+,30+,31+,32+,33-,34-,35-,36+,37+,38-,39-,40+,41+,42+,43+,44-,45-,46+,47-,48-,49-,50-,51-,52-,55-,56-,57+,58+,59+/m0/s1 |
| InChI Key | GFGWLAXJMCZYEJ-DZXZRISASA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3O)O)OC4C(C(C(OC4OC(=O)C56CCC(CC5C7=CCC8C(C7(CC6O)C)(CCC9C8(CC(C(C9(C)CO)OC1C(C(C(C(O1)C)O)O)O)O)C)C)(C)C)C)O)O)C)O)O)O)O |
| CAS | |
| Splash | |
| Other Names |
β-D-Galactopyranose, O-6-deoxy-α-L-mannopyranosyl-(1->3)-O-β-D-xylopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-1-O-[(2β,3β,16α)-3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2,16,23-trihydroxy-28-oxoolean-12-en-28-yl]-; 6-Deoxy-α-L-mannopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-1-O-{(2β,3β,16α)-3-[(6-deoxy-α-L-mannopyranosyl)oxy]-2,16,23-trihydroxy-28-oxoolean-12-en-28-yl}-β-D-galactopyranose |