6-Deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β,5ξ,9ξ,18ξ)-3-{[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose
6-Deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β,5ξ,9ξ,18ξ)-3-{[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose Structure
Systematic / IUPAC Name: 6-Deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β,5ξ,9ξ,18ξ)-3-{[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose
ID: Reference8114
Other Names: β-D-Glucopyranose, O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->6)-1-O-((3β,5ξ,9ξ,18ξ)-3-{[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl)-
Formula: C59H96O26
Spectral Data
6-Deoxy-α-L-mannopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(3β,5ξ,9ξ,18ξ)-3-{[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose 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 | 3 |
| No. of Spectra | 2754 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/27/2018 9:01:24 AM |
Identificators
| InChI | InChI=1S/C59H96O26/c1-24-34(63)38(67)42(71)49(78-24)83-46-29(20-60)80-48(45(74)41(46)70)77-22-30-37(66)40(69)44(73)51(81-30)85-53(75)59-17-15-54(3,4)19-27(59)26-9-10-32-55(5)13-12-33(56(6,23-61)31(55)11-14-58(32,8)57(26,7)16-18-59)82-52-47(36(65)28(62)21-76-52)84-50-43(72)39(68)35(64)25(2)79-50/h9,24-25,27-52,60-74H,10-23H2,1-8H3/t24-,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 | RYHDIBJJJRNDSX-HGTRPUCXSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)CO)OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)C)O)O)O)C)(C)C)O)O)O)CO)O)O)O |
| CAS | |
| Splash | |
| Other Names | β-D-Glucopyranose, O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->6)-1-O-((3β,5ξ,9ξ,18ξ)-3-{[2-O-(6-deoxy-α-L-mannopyranosyl)-α-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxoolean-12-en-28-yl)- |