| SpectraBase Compound ID | 5bF7n3RqYkx |
|---|---|
| InChI | InChI=1S/C44H66O12/c1-24(45)52-32-33(53-25(2)46)35(54-26(3)47)37(56-34(32)36(48)50-11)55-31-16-17-41(8)29(40(31,6)7)15-18-43(10)30(41)14-13-27-28-23-39(4,5)19-21-44(28,38(49)51-12)22-20-42(27,43)9/h13,28-35,37H,14-23H2,1-12H3/t28-,29-,30+,31-,32-,33-,34-,35+,37+,41-,42+,43+,44-/m0/s1 |
| InChIKey | RQMRVELTDXQWNL-SQHABUTNSA-N |
| Mol Weight | 787.0 g/mol |
| Molecular Formula | C44H66O12 |
| Exact Mass | 786.455428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8cMORbkXsOI |
|---|---|
| Name | 3-O-BETA-D-METHYLGLUCURONOPYRANOSYL-OLEANOLIC-ACID-METHYLESTER-PERACETYLATED |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H66O12 |
| InChI | InChI=1S/C44H66O12/c1-24(45)52-32-33(53-25(2)46)35(54-26(3)47)37(56-34(32)36(48)50-11)55-31-16-17-41(8)29(40(31,6)7)15-18-43(10)30(41)14-13-27-28-23-39(4,5)19-21-44(28,38(49)51-12)22-20-42(27,43)9/h13,28-35,37H,14-23H2,1-12H3/t28-,29-,30+,31-,32-,33-,34-,35+,37+,41-,42+,43+,44-/m0/s1 |
| InChIKey | RQMRVELTDXQWNL-SQHABUTNSA-N |
| Literature Reference Author | A.PENDERS,C.DELAUDE |
| Literature Reference Citation | PHYTOCHEM.,37,821(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90364-9 |
| Molecular Weight | 787.001 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU23499 |