| SpectraBase Compound ID | 54SrC3nSZoT |
|---|---|
| InChI | InChI=1S/C47H74O20/c1-42(2)16-20-19-8-9-23-44(4)12-11-24(63-41-34(29(54)28(53)33(65-41)38(60)61)66-40-31(56)26(51)27(52)32(64-40)37(58)59)45(5,18-48)22(44)10-13-47(23,7)46(19,6)15-14-43(20,3)36(35(42)57)67-39-30(55)25(50)21(49)17-62-39/h8,20-36,39-41,48-57H,9-18H2,1-7H3,(H,58,59)(H,60,61)/t20-,21+,22?,23?,24-,25+,26-,27-,28-,29-,30-,31+,32-,33-,34+,35-,36+,39+,40-,41+,43+,44-,45+,46+,47+/m0/s1 |
| InChIKey | RPEKPENNMFTVPA-MLIMKMJXSA-N |
| Mol Weight | 959.1 g/mol |
| Molecular Formula | C47H74O20 |
| Exact Mass | 958.477345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FtKqzNHKaKL |
|---|---|
| Name | KUDZUSAPONIN-SA4;3-O-BETA-D-GLUCURONOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-SOYASAPOGENOL-A-22-O-ALPHA-L-ARABINOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74O20 |
| InChI | InChI=1S/C47H74O20/c1-42(2)16-20-19-8-9-23-44(4)12-11-24(63-41-34(29(54)28(53)33(65-41)38(60)61)66-40-31(56)26(51)27(52)32(64-40)37(58)59)45(5,18-48)22(44)10-13-47(23,7)46(19,6)15-14-43(20,3)36(35(42)57)67-39-30(55)25(50)21(49)17-62-39/h8,20-36,39-41,48-57H,9-18H2,1-7H3,(H,58,59)(H,60,61)/t20-,21+,22?,23?,24-,25+,26-,27-,28-,29-,30-,31+,32-,33-,34+,35-,36+,39+,40-,41+,43+,44-,45+,46+,47+/m0/s1 |
| InChIKey | RPEKPENNMFTVPA-MLIMKMJXSA-N |
| Literature Reference Author | T.ARAO,J.KINJO,T.NOHARA,R.ISOBE |
| Literature Reference Citation | CHEM.PHARM.BULL.,45,362(1997) |
| Literature Reference DOI | 10.1248/cpb.45.362 |
| Molecular Weight | 959.093 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN28734 |