| SpectraBase Compound ID | ETqTOygzlAw |
|---|---|
| InChI | InChI=1S/C45H70O19/c1-24(2)10-6-15-28(16-8-13-25(3)11-7-12-26(4)14-9-17-29-18-33(49)58-22-29)21-59-44-41(38(54)34(50)30(19-46)60-44)64-45-42(39(55)35(51)31(20-47)61-45)63-43-40(56)37(53)36(52)32(62-43)23-57-27(5)48/h10-11,14,16,18,30-32,34-47,50-56H,6-9,12-13,15,17,19-23H2,1-5H3/b25-11+,26-14+,28-16-/t30-,31+,32+,34-,35+,36+,37-,38+,39-,40+,41-,42+,43-,44-,45-/m0/s1 |
| InChIKey | SPZVTZNFVVXPTK-FQSFNIMESA-N |
| Mol Weight | 915.0 g/mol |
| Molecular Formula | C45H70O19 |
| Exact Mass | 914.45113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FDMhz6LFsQl |
|---|---|
| Name | 6'''-O-ACETYL-BALIBALOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H70O19 |
| InChI | InChI=1S/C45H70O19/c1-24(2)10-6-15-28(16-8-13-25(3)11-7-12-26(4)14-9-17-29-18-33(49)58-22-29)21-59-44-41(38(54)34(50)30(19-46)60-44)64-45-42(39(55)35(51)31(20-47)61-45)63-43-40(56)37(53)36(52)32(62-43)23-57-27(5)48/h10-11,14,16,18,30-32,34-47,50-56H,6-9,12-13,15,17,19-23H2,1-5H3/b25-11+,26-14+,28-16-/t30-,31+,32+,34-,35+,36+,37-,38+,39-,40+,41-,42+,43-,44-,45-/m0/s1 |
| InChIKey | SPZVTZNFVVXPTK-FQSFNIMESA-N |
| Literature Reference Author | C.AUDOIN,D.BONHOMME,J.IVANISEVIC,M.DELACRUZ,B.CAUTAIN,M.C.MO NTEIRO,F.REYES,L.RIO |
| Literature Reference Citation | MAR.DRUGS,11,1477(2013) |
| Literature Reference DOI | 10.3390/md11051477 |
| Molecular Weight | 915.039 g/mol |
| Source File Reference | UWLU74826 |