![3-O-[2'-(2''-O-GLYCOLYL)-GLYOXYLYL-BETA-D-GLUCURONOPYRANOSYL]-OLEAN-12-EN-3-BETA-OL-28-OIC-ACID](/api/spectrum/8bCgCHZKm6E/structure.png?h=300&w=458 "3-O-[2'-(2''-O-GLYCOLYL)-GLYOXYLYL-BETA-D-GLUCURONOPYRANOSYL]-OLEAN-12-EN-3-BETA-OL-28-OIC-ACID")
| SpectraBase Compound ID | 49ke8D3hwQN |
|---|---|
| InChI | InChI=1S/C40H60O14/c1-35(2)14-16-40(34(49)50)17-15-38(6)20(21(40)18-35)8-9-23-37(5)12-11-24(36(3,4)22(37)10-13-39(23,38)7)52-32-27(44)28(26(43)29(54-32)30(45)46)53-33(31(47)48)51-19-25(41)42/h8,21-24,26-29,32-33,43-44H,9-19H2,1-7H3,(H,41,42)(H,45,46)(H,47,48)(H,49,50)/t21?,22?,23?,24-,26-,27+,28-,29-,32+,33-,37-,38+,39+,40-/m0/s1 |
| InChIKey | WEUHEQAOZHTARY-BQBLNGCJSA-N |
| Mol Weight | 764.9 g/mol |
| Molecular Formula | C40H60O14 |
| Exact Mass | 764.398307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8bCgCHZKm6E |
|---|---|
| Name | 3-O-[2'-(2''-O-GLYCOLYL)-GLYOXYLYL-BETA-D-GLUCURONOPYRANOSYL]-OLEAN-12-EN-3-BETA-OL-28-OIC-ACID |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H60O14 |
| InChI | InChI=1S/C40H60O14/c1-35(2)14-16-40(34(49)50)17-15-38(6)20(21(40)18-35)8-9-23-37(5)12-11-24(36(3,4)22(37)10-13-39(23,38)7)52-32-27(44)28(26(43)29(54-32)30(45)46)53-33(31(47)48)51-19-25(41)42/h8,21-24,26-29,32-33,43-44H,9-19H2,1-7H3,(H,41,42)(H,45,46)(H,47,48)(H,49,50)/t21?,22?,23?,24-,26-,27+,28-,29-,32+,33-,37-,38+,39+,40-/m0/s1 |
| InChIKey | WEUHEQAOZHTARY-BQBLNGCJSA-N |
| Literature Reference Author | C.LAVAUD,S.BEAUVIERE,G.MASSIOT,L.L.MEN-OLIVIER,G.BOURDY |
| Literature Reference Citation | PHYTOCHEM.,43,189(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00253-1 |
| Molecular Weight | 764.908 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS1935 |