![CLOVERSAPONIN-III-METHYLESTER;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-MELILOTIGENIN-METHYLESTER](/api/spectrum/4uJj0FHd4Rx/structure.png?h=300&w=458 "CLOVERSAPONIN-III-METHYLESTER;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-MELILOTIGENIN-METHYLESTER")
| SpectraBase Compound ID | 95VnFyRAypr |
|---|---|
| InChI | InChI=1S/C44H68O16/c1-39(38(54)56-8)17-22-21-9-10-25-41(3)13-12-27(42(4,20-46)24(41)11-14-44(25,6)43(21,5)16-15-40(22,2)26(47)18-39)58-37-34(31(51)30(50)33(59-37)35(53)55-7)60-36-32(52)29(49)28(48)23(19-45)57-36/h9,22-25,27-34,36-37,45-46,48-52H,10-20H2,1-8H3/t22-,23+,24+,25+,27-,28+,29-,30-,31-,32+,33-,34+,36-,37+,39-,40+,41-,42+,43+,44+/m0/s1 |
| InChIKey | JARNAUMTBWLAAZ-UIIJKUCSSA-N |
| Mol Weight | 853.0 g/mol |
| Molecular Formula | C44H68O16 |
| Exact Mass | 852.450736 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4uJj0FHd4Rx |
|---|---|
| Name | CLOVERSAPONIN-III-METHYLESTER;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-MELILOTIGENIN-METHYLESTER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H68O16 |
| InChI | InChI=1S/C44H68O16/c1-39(38(54)56-8)17-22-21-9-10-25-41(3)13-12-27(42(4,20-46)24(41)11-14-44(25,6)43(21,5)16-15-40(22,2)26(47)18-39)58-37-34(31(51)30(50)33(59-37)35(53)55-7)60-36-32(52)29(49)28(48)23(19-45)57-36/h9,22-25,27-34,36-37,45-46,48-52H,10-20H2,1-8H3/t22-,23+,24+,25+,27-,28+,29-,30-,31-,32+,33-,34+,36-,37+,39-,40+,41-,42+,43+,44+/m0/s1 |
| InChIKey | JARNAUMTBWLAAZ-UIIJKUCSSA-N |
| Literature Reference Author | S.SAKAMOTO,S.KOFUJI,M.KUROYANAGI,A.UENO,S.SEKITA |
| Literature Reference Citation | PHYTOCHEM.,31,1773(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83145-O |
| Molecular Weight | 853.014 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6030 |