| SpectraBase Compound ID | 5eb3yVgIFdS |
|---|---|
| InChI | InChI=1S/C38H56O19/c1-19-14-28(51-22(4)40)15-36(10,11)38(19,46)13-12-20(2)50-34-32(54-25(7)43)31(53-24(6)42)30(52-23(5)41)29(56-34)16-47-35-33(55-26(8)44)37(18-49-35,57-27(9)45)17-48-21(3)39/h12-13,19-20,28-35,46H,14-18H2,1-11H3/b13-12+/t19-,20+,28+,29+,30+,31-,32+,33+,34+,35-,37-,38-/m1/s1 |
| InChIKey | CLYHZKYRVNZKAY-KLAUEYEYSA-N |
| Mol Weight | 816.8 g/mol |
| Molecular Formula | C38H56O19 |
| Exact Mass | 816.34158 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F35w0pw05D4 |
|---|---|
| Name | ALANGIONOSIDE-B-HEPTAACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H56O19 |
| InChI | InChI=1S/C38H56O19/c1-19-14-28(51-22(4)40)15-36(10,11)38(19,46)13-12-20(2)50-34-32(54-25(7)43)31(53-24(6)42)30(52-23(5)41)29(56-34)16-47-35-33(55-26(8)44)37(18-49-35,57-27(9)45)17-48-21(3)39/h12-13,19-20,28-35,46H,14-18H2,1-11H3/b13-12+/t19-,20+,28+,29+,30+,31-,32+,33+,34+,35-,37-,38-/m1/s1 |
| InChIKey | CLYHZKYRVNZKAY-KLAUEYEYSA-N |
| Literature Reference Author | H.OTSUKA,K.KAMADA,C.OGIMI,E.HIRATA,A.TAKUSHI,Y.TAKEDA |
| Literature Reference Citation | PHYTOCHEM.,35,1331(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)94848-9 |
| Molecular Weight | 816.851 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS24571 |