![3-BETA-O-[BETA-GLUCURONOPYRANOSYL]-2-BETA,3-BETA-DIHYDROXY-30-NOROLEAN-12,20(29)-DIENE-23,28-DIOIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER](/api/spectrum/YI3O9ufolb/structure.png?h=300&w=458 "3-BETA-O-[BETA-GLUCURONOPYRANOSYL]-2-BETA,3-BETA-DIHYDROXY-30-NOROLEAN-12,20(29)-DIENE-23,28-DIOIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | EVadSZt9Qtj |
|---|---|
| InChI | InChI=1S/C41H60O17/c1-17-8-11-41(36(54)58-33-28(48)25(45)24(44)21(16-42)55-33)13-12-38(3)18(19(41)14-17)6-7-22-37(2)15-20(43)31(40(5,35(52)53)23(37)9-10-39(22,38)4)57-34-29(49)26(46)27(47)30(56-34)32(50)51/h6,19-31,33-34,42-49H,1,7-16H2,2-5H3,(H,50,51)(H,52,53)/t19?,20-,21+,22?,23?,24+,25-,26-,27-,28+,29+,30-,31-,33-,34-,37+,38+,39+,40-,41-/m0/s1 |
| InChIKey | UDJQXYVUQBGNDM-IMVCHOBFSA-N |
| Mol Weight | 824.9 g/mol |
| Molecular Formula | C41H60O17 |
| Exact Mass | 824.38305 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | YI3O9ufolb |
|---|---|
| Name | 3-BETA-O-[BETA-GLUCURONOPYRANOSYL]-2-BETA,3-BETA-DIHYDROXY-30-NOROLEAN-12,20(29)-DIENE-23,28-DIOIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H60O17 |
| InChI | InChI=1S/C41H60O17/c1-17-8-11-41(36(54)58-33-28(48)25(45)24(44)21(16-42)55-33)13-12-38(3)18(19(41)14-17)6-7-22-37(2)15-20(43)31(40(5,35(52)53)23(37)9-10-39(22,38)4)57-34-29(49)26(46)27(47)30(56-34)32(50)51/h6,19-31,33-34,42-49H,1,7-16H2,2-5H3,(H,50,51)(H,52,53)/t19?,20-,21+,22?,23?,24+,25-,26-,27-,28+,29+,30-,31-,33-,34-,37+,38+,39+,40-,41-/m0/s1 |
| InChIKey | UDJQXYVUQBGNDM-IMVCHOBFSA-N |
| Literature Reference Author | M.JUNKUSZEW,W.OLESZEK,M.JURZYSTA,S.PIANCENTE,C.PIZZA |
| Literature Reference Citation | PHYTOCHEM.,49,195(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00904-7 |
| Molecular Weight | 824.917 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU69 |