| SpectraBase Compound ID | 7Nl9PsoiByp |
|---|---|
| InChI | InChI=1S/C47H78O19/c1-42(2)14-21-20-8-9-26-44(5)12-11-28(43(3,4)25(44)10-13-45(26,6)46(20,7)15-27(50)47(21,19-48)38(60)37(42)59)66-41-36(58)33(55)31(53)24(65-41)18-63-40-35(57)32(54)30(52)23(64-40)17-62-39-34(56)29(51)22(49)16-61-39/h8,21-41,48-60H,9-19H2,1-7H3/t21-,22+,23+,24+,25?,26?,27-,28-,29-,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40+,41-,44-,45+,46+,47-/m0/s1 |
| InChIKey | VAQMIXNVFYXZSX-MRPQKFOPSA-N |
| Mol Weight | 947.1 g/mol |
| Molecular Formula | C47H78O19 |
| Exact Mass | 946.51373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GmZMrU00PML |
|---|---|
| Name | SITAKISOSIDE_XIX;DEACYLATED_SITAKISOSIDE_II |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H78O19 |
| InChI | InChI=1S/C47H78O19/c1-42(2)14-21-20-8-9-26-44(5)12-11-28(43(3,4)25(44)10-13-45(26,6)46(20,7)15-27(50)47(21,19-48)38(60)37(42)59)66-41-36(58)33(55)31(53)24(65-41)18-63-40-35(57)32(54)30(52)23(64-40)17-62-39-34(56)29(51)22(49)16-61-39/h8,21-41,48-60H,9-19H2,1-7H3/t21-,22+,23+,24+,25?,26?,27-,28-,29-,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40+,41-,44-,45+,46+,47-/m0/s1 |
| InChIKey | VAQMIXNVFYXZSX-MRPQKFOPSA-N |
| Literature Reference Author | K.YOSHIKAWA,A.MIZUTANI,Y.KAN,S.ARIHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,45,62(1997) |
| Literature Reference DOI | 10.1248/cpb.45.62 |
| Molecular Weight | 947.125 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ22130 |