6-Deoxy-α-L-mannopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(3β,5ξ,9ξ)-3-{[6-deoxy-α-L-mannopyranosyl-(1->3)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-glucopyranose
6-Deoxy-α-L-mannopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(3β,5ξ,9ξ)-3-{[6-deoxy-α-L-mannopyranosyl-(1->3)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-glucopyranose Structure
Systematic / IUPAC Name: 6-Deoxy-α-L-mannopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(3β,5ξ,9ξ)-3-{[6-deoxy-α-L-mannopyranosyl-(1->3)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-glucopyranose
ID: Reference8115
Other Names: β-D-Glucopyranose, O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-((3β,5ξ,9ξ)-3-{[O-6-deoxy-α-L-mannopyranosyl-(1->3)-O-β-D-glucopyranosyl-(1->2)-β-D-glucopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl)-
Formula: C66H106O31
Spectral Data
6-Deoxy-α-L-mannopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(3β,5ξ,9ξ)-3-{[6-deoxy-α-L-mannopyranosyl-(1->3)-β-D-glucopyranosyl-(1->2)-β-D-glucopyranuronosyl]oxy}-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 | 2 |
| No. of Spectra | 1131 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/27/2018 11:36:43 AM |
Identificators
| InChI | InChI=1S/C66H106O31/c1-24-34(69)38(73)44(79)54(86-24)92-48-26(3)88-56(46(81)43(48)78)95-51-40(75)36(71)29(22-67)90-58(51)97-60(85)66-19-17-61(4,5)21-28(66)27-11-12-32-63(8)15-14-33(62(6,7)31(63)13-16-65(32,10)64(27,9)18-20-66)91-59-52(42(77)41(76)50(94-59)53(83)84)96-57-47(82)49(37(72)30(23-68)89-57)93-55-45(80)39(74)35(70)25(2)87-55/h11,24-26,28-52,54-59,67-82H,12-23H2,1-10H3,(H,83,84)/t24-,25-,26-,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+,54-,55-,56-,57-,58-,59+,63-,64+,65+,66-/m0/s1 |
| InChI Key | BWRSJNKEGWBSNI-WNDOYVRMSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(C(C(OC3OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)C)OC9C(C(C(C(O9)C(=O)O)O)O)OC1C(C(C(C(O1)CO)O)OC1C(C(C(C(O1)C)O)O)O)O)C)(C)C)CO)O)O)C)O)O)O |
| CAS | |
| Splash | |
| Other Names | β-D-Glucopyranose, O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-((3β,5ξ,9ξ)-3-{[O-6-deoxy-α-L-mannopyranosyl-(1->3)-O-β-D-glucopyranosyl-(1->2)-β-D-glucopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl)- |