| SpectraBase Compound ID | GeS6rNW7uaX |
|---|---|
| InChI | InChI=1S/C36H54O18/c1-18-13-26(49-21(4)38)14-34(9,10)36(18,44)12-11-19(2)48-32-30(52-24(7)41)29(51-23(6)40)28(50-22(5)39)27(54-32)15-45-33-31(53-25(8)42)35(43,17-47-33)16-46-20(3)37/h11-12,18-19,26-33,43-44H,13-17H2,1-10H3/b12-11+/t18-,19+,26+,27+,28+,29-,30+,31+,32+,33-,35-,36-/m1/s1 |
| InChIKey | CXNJNTQXBACSGN-UONUZIMGSA-N |
| Mol Weight | 774.8 g/mol |
| Molecular Formula | C36H54O18 |
| Exact Mass | 774.331015 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | uFC3L3NrpE |
|---|---|
| Name | ALANGIONOSIDE-B-HEXAACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H54O18 |
| InChI | InChI=1S/C36H54O18/c1-18-13-26(49-21(4)38)14-34(9,10)36(18,44)12-11-19(2)48-32-30(52-24(7)41)29(51-23(6)40)28(50-22(5)39)27(54-32)15-45-33-31(53-25(8)42)35(43,17-47-33)16-46-20(3)37/h11-12,18-19,26-33,43-44H,13-17H2,1-10H3/b12-11+/t18-,19+,26+,27+,28+,29-,30+,31+,32+,33-,35-,36-/m1/s1 |
| InChIKey | CXNJNTQXBACSGN-UONUZIMGSA-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 | 774.814 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS24572 |