![CLOVERSAPONIN-IV-METHYLESTER;3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-SOYASAPOGENOL-B-METHYLESTER](/api/spectrum/KnyxnecNktF/structure.png?h=300&w=458 "CLOVERSAPONIN-IV-METHYLESTER;3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-SOYASAPOGENOL-B-METHYLESTER")
| SpectraBase Compound ID | LlFbgJvM8Tw |
|---|---|
| InChI | InChI=1S/C42H68O13/c1-37(2)17-22-21-9-10-25-39(4)13-12-27(40(5,20-43)24(39)11-14-42(25,7)41(21,6)16-15-38(22,3)26(45)18-37)53-36-33(30(48)29(47)32(54-36)34(50)51-8)55-35-31(49)28(46)23(44)19-52-35/h9,22-33,35-36,43-49H,10-20H2,1-8H3/t22-,23+,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1 |
| InChIKey | MFPBTGNHUONJPE-GGTMZETESA-N |
| Mol Weight | 781.0 g/mol |
| Molecular Formula | C42H68O13 |
| Exact Mass | 780.465992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KnyxnecNktF |
|---|---|
| Name | CLOVERSAPONIN-IV-METHYLESTER;3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL]-SOYASAPOGENOL-B-METHYLESTER |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O13 |
| InChI | InChI=1S/C42H68O13/c1-37(2)17-22-21-9-10-25-39(4)13-12-27(40(5,20-43)24(39)11-14-42(25,7)41(21,6)16-15-38(22,3)26(45)18-37)53-36-33(30(48)29(47)32(54-36)34(50)51-8)55-35-31(49)28(46)23(44)19-52-35/h9,22-33,35-36,43-49H,10-20H2,1-8H3/t22-,23+,24+,25+,26+,27-,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1 |
| InChIKey | MFPBTGNHUONJPE-GGTMZETESA-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 | 780.994 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6033 |