| SpectraBase Compound ID | 1mvwXB2W3cj |
|---|---|
| InChI | InChI=1S/C48H76O18/c1-43(2)15-17-48(42(59)66-40-34(56)31(53)29(51)24(20-49)62-40)18-16-46(6)22(23(48)19-43)9-10-27-45(5)13-12-28(44(3,4)26(45)11-14-47(27,46)7)63-41-35(57)32(54)36(37(65-41)38(58)60-8)64-39-33(55)30(52)25(21-50)61-39/h9,23-37,39-41,49-57H,10-21H2,1-8H3/t23?,24-,25+,26+,27-,28+,29-,30+,31+,32-,33-,34-,35-,36+,37+,39+,40+,41-,45?,46?,47?,48+/m1/s1 |
| InChIKey | WJHDDPVZYYTSCO-YNEHQRJPSA-N |
| Mol Weight | 941.1 g/mol |
| Molecular Formula | C48H76O18 |
| Exact Mass | 940.503166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CPgbaCIJ3PG |
|---|---|
| Name | CHIKUSETSUSAPONIN-IV-METHYLESTER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H76O18 |
| InChI | InChI=1S/C48H76O18/c1-43(2)15-17-48(42(59)66-40-34(56)31(53)29(51)24(20-49)62-40)18-16-46(6)22(23(48)19-43)9-10-27-45(5)13-12-28(44(3,4)26(45)11-14-47(27,46)7)63-41-35(57)32(54)36(37(65-41)38(58)60-8)64-39-33(55)30(52)25(21-50)61-39/h9,23-37,39-41,49-57H,10-21H2,1-8H3/t23?,24-,25+,26+,27-,28+,29-,30+,31+,32-,33-,34-,35-,36+,37+,39+,40+,41-,45?,46?,47?,48+/m1/s1 |
| InChIKey | WJHDDPVZYYTSCO-YNEHQRJPSA-N |
| Literature Reference Author | S.SAKAI,M.KATSUMATA,Y.SATOH,M.NAGASAO,M.MIYAKOSHI,Y.IDA,J.SH OJI |
| Literature Reference Citation | PHYTOCHEM.,35,1319(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)94846-5 |
| Molecular Weight | 941.121 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS24551 |