| SpectraBase Compound ID | ElFotb99CUA |
|---|---|
| InChI | InChI=1S/C37H58O9/c1-32(2)17-21-20-9-10-23-34(4)13-12-25(45-31-28(42)26(40)27(41)29(46-31)30(43)44-8)35(5,19-38)22(34)11-14-37(23,7)36(20,6)16-15-33(21,3)24(39)18-32/h9,21-23,25-29,31,38,40-42H,10-19H2,1-8H3/t21-,22+,23+,25-,26-,27-,28+,29-,31+,33+,34-,35+,36+,37+/m0/s1 |
| InChIKey | PEKUYILEQIJOEY-SASPCDTGSA-N |
| Mol Weight | 646.9 g/mol |
| Molecular Formula | C37H58O9 |
| Exact Mass | 646.408083 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GqjAYMoleJG |
|---|---|
| Name | CLOVERSAPONIN-I-METHYLESTER;3-O-BETA-D-GLUCURONOPYRANOSYL-SOYASAPOGENOL-E-METHYLESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H58O9 |
| InChI | InChI=1S/C37H58O9/c1-32(2)17-21-20-9-10-23-34(4)13-12-25(45-31-28(42)26(40)27(41)29(46-31)30(43)44-8)35(5,19-38)22(34)11-14-37(23,7)36(20,6)16-15-33(21,3)24(39)18-32/h9,21-23,25-29,31,38,40-42H,10-19H2,1-8H3/t21-,22+,23+,25-,26-,27-,28+,29-,31+,33+,34-,35+,36+,37+/m0/s1 |
| InChIKey | PEKUYILEQIJOEY-SASPCDTGSA-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 | 646.862 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6028 |