| SpectraBase Compound ID | BOWORDb367L |
|---|---|
| InChI | InChI=1S/C38H58O11/c1-33(32(45)47-8)17-21-20-9-10-23-35(3)13-12-25(48-31-28(43)26(41)27(42)29(49-31)30(44)46-7)36(4,19-39)22(35)11-14-38(23,6)37(20,5)16-15-34(21,2)24(40)18-33/h9,21-23,25-29,31,39,41-43H,10-19H2,1-8H3/t21-,22+,23+,25-,26-,27-,28+,29-,31+,33-,34+,35-,36+,37+,38+/m0/s1 |
| InChIKey | KNORILYRRNCUIK-IYDJGPGQSA-N |
| Mol Weight | 690.9 g/mol |
| Molecular Formula | C38H58O11 |
| Exact Mass | 690.397913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GziE760g4rS |
|---|---|
| Name | CLOVERSAPONIN-II-METHYLESTER;3-O-BETA-D-GLUCURONOPYRANOSYL-MELILOTIGENIN-METHYLESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H58O11 |
| InChI | InChI=1S/C38H58O11/c1-33(32(45)47-8)17-21-20-9-10-23-35(3)13-12-25(48-31-28(43)26(41)27(42)29(49-31)30(44)46-7)36(4,19-39)22(35)11-14-38(23,6)37(20,5)16-15-34(21,2)24(40)18-33/h9,21-23,25-29,31,39,41-43H,10-19H2,1-8H3/t21-,22+,23+,25-,26-,27-,28+,29-,31+,33-,34+,35-,36+,37+,38+/m0/s1 |
| InChIKey | KNORILYRRNCUIK-IYDJGPGQSA-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 | 690.872 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6029 |