6-Deoxy-β-D-galactopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)]-6-deoxy-1-O-[(3β,5ξ,9ξ,16α)-3-{[2-O-(β-D-galactopyranosyl)-β-D-glucopyranuronosyl]oxy}-16-hydroxy-23,28-dioxoolean-12-en-28-yl]-β-D-galactopyranose
6-Deoxy-β-D-galactopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)]-6-deoxy-1-O-[(3β,5ξ,9ξ,16α)-3-{[2-O-(β-D-galactopyranosyl)-β-D-glucopyranuronosyl]oxy}-16-hydroxy-23,28-dioxoolean-12-en-28-yl]-β-D-galactopyranose Structure
Systematic / IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,12aS,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-Dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyl-5-[(2S,3R,4S,5R,6R)-3,4,5-
ID: Reference8116
Other Names: β-D-Galactopyranose, O-6-deoxy-β-D-galactopyranosyl-(1->4)-O-[O-β-D-glucopyranosyl-(1->3)-O-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)]-6-deoxy-1-O-[(3β,5ξ,9ξ,16α)-3-[(2-O-β-D-galactopyranosyl-β-D-glucopyranuronosyl)oxy]-16-hydroxy-23,28-dioxoolean-12-en-28-yl]-
Formula: C71H112O37
Spectral Data
6-Deoxy-β-D-galactopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)]-6-deoxy-1-O-[(3β,5ξ,9ξ,16α)-3-{[2-O-(β-D-galactopyranosyl)-β-D-glucopyranuronosyl]oxy}-16-hydroxy-23,28-dioxoolean-12-en-28-yl]-β-D-galactopyranose 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 | 2068 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/30/2018 8:51:13 AM |
Identificators
| InChI | InChI=1S/C71H112O37/c1-24-36(77)39(80)45(86)59(96-24)103-52-26(3)98-63(56(49(52)90)107-60-48(89)44(85)51(25(2)97-60)102-58-50(91)53(29(75)22-95-58)104-61-46(87)40(81)37(78)30(20-72)99-61)108-65(94)71-17-16-66(4,5)18-28(71)27-10-11-33-67(6)14-13-35(68(7,23-74)32(67)12-15-69(33,8)70(27,9)19-34(71)76)101-64-55(43(84)42(83)54(105-64)57(92)93)106-62-47(88)41(82)38(79)31(21-73)100-62/h10,23-26,28-56,58-64,72-73,75-91H,11-22H2,1-9H3,(H,92,93)/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+,53+,54+,55-,56-,58+,59+,60+,61+,62+,63+,64-,67+,68+,69-,70-,71-/m1/s1 |
| InChI Key | SBXAKXAUCYYZRJ-BOCFYNOVSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OC2C(OC(C(C2O)OC3C(C(C(C(O3)C)OC4C(C(C(CO4)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)OC(=O)C67CCC(CC6C8=CCC9C1(CCC(C(C1CCC9(C8(CC7O)C)C)(C)C=O)OC1C(C(C(C(O1)C(=O)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)(C)C)C)O)O)O |
| CAS | |
| Splash | |
| Other Names | β-D-Galactopyranose, O-6-deoxy-β-D-galactopyranosyl-(1->4)-O-[O-β-D-glucopyranosyl-(1->3)-O-β-D-xylopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)]-6-deoxy-1-O-[(3β,5ξ,9ξ,16α)-3-[(2-O-β-D-galactopyranosyl-β-D-glucopyranuronosyl)oxy]-16-hydroxy-23,28-dioxoolean-12-en-28-yl]- |