| SpectraBase Compound ID | BeJ2jaRUEM4 |
|---|---|
| InChI | InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-35(64-38-31(53)28(50)23(49)20-60-38)33(55)34(36(65-40)37(56)57)63-39-32(54)30(52)29(51)24(19-48)61-39/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)/t22-,23+,24-,25-,26+,27-,28-,29-,30+,31+,32-,33-,34-,35+,36-,38-,39+,40+,44-,45+,46+,47-/m0/s1 |
| InChIKey | PHLOQZUXCSJYTO-BHBPPSGBSA-N |
| Mol Weight | 927.1 g/mol |
| Molecular Formula | C47H74O18 |
| Exact Mass | 926.487516 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kcrb1Sr3yE8 |
|---|---|
| Name | DESACYL-GOYASAPONIN-III |
| Compound Number | 25 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H74O18 |
| InChI | InChI=1S/C47H74O18/c1-42(2)14-16-47(41(58)59)17-15-45(6)21(22(47)18-42)8-9-26-44(5)12-11-27(43(3,4)25(44)10-13-46(26,45)7)62-40-35(64-38-31(53)28(50)23(49)20-60-38)33(55)34(36(65-40)37(56)57)63-39-32(54)30(52)29(51)24(19-48)61-39/h8,22-36,38-40,48-55H,9-20H2,1-7H3,(H,56,57)(H,58,59)/t22-,23+,24-,25-,26+,27-,28-,29-,30+,31+,32-,33-,34-,35+,36-,38-,39+,40+,44-,45+,46+,47-/m0/s1 |
| InChIKey | PHLOQZUXCSJYTO-BHBPPSGBSA-N |
| Literature Reference Author | T.MURAKAMI,A.EMOTO,H.MATSUDA,M.YOSHIKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,49,54(2001) |
| Literature Reference DOI | 10.1248/cpb.49.54 |
| Molecular Weight | 927.094 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU31718 |