3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,6β,9ξ,16α)-3-({4-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosyl}oxy)-2,6,16,23-tetrahydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose
3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,6β,9ξ,16α)-3-({4-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosyl}oxy)-2,6,16,23-tetrahydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose Structure
Systematic / IUPAC Name: [(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aS,6bR,8R,9R,10R,11S,12aR,14bS)-10-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)ox
ID: Reference8118
Other Names: α-L-Arabinopyranose, O-3-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-xylopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,6β,9ξ,16α)-2,6,16,23-tetrahydroxy-28-oxo-3-[[4-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl]oxy]olean-12-en-28-yl]-
Formula: C62H100O32
Spectral Data
3-O-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,6β,9ξ,16α)-3-({4-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-β-D-glucopyranosyl}oxy)-2,6,16,23-tetrahydroxy-28-oxoolean-12-en-28-yl]-α-L-arabinopyranose 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 | 1913 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/1/2019 11:40:23 AM |
Identificators
| InChI | InChI=1S/C62H100O32/c1-24-40(89-48-39(77)41(30(70)18-83-48)90-52-45(78)60(81,20-65)22-85-52)35(73)37(75)49(87-24)92-43-34(72)29(69)17-84-51(43)94-54(80)62-11-10-55(2,3)12-26(62)25-8-9-32-56(4)13-28(68)47(57(5,19-64)44(56)27(67)14-59(32,7)58(25,6)15-33(62)71)93-50-38(76)36(74)42(31(16-63)88-50)91-53-46(79)61(82,21-66)23-86-53/h8,24,26-53,63-79,81-82H,9-23H2,1-7H3/t24-,26-,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-,53+,56+,57-,58+,59+,60+,61+,62+/m0/s1 |
| InChI Key | ILPITJPUOQEFBC-OGCYOUFGSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CC(C(C(C7C(CC6(C5(CC4O)C)C)O)(C)CO)OC8C(C(C(C(O8)CO)OC9C(C(CO9)(CO)O)O)O)O)O)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)OC1C(C(CO1)(CO)O)O)O |
| CAS | |
| Splash | |
| Other Names | α-L-Arabinopyranose, O-3-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-xylopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,6β,9ξ,16α)-2,6,16,23-tetrahydroxy-28-oxo-3-[[4-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-β-D-glucopyranosyl]oxy]olean-12-en-28-yl]- |