| SpectraBase Compound ID | G9C9FNolV3v |
|---|---|
| InChI | InChI=1S/C29H44O13/c1-15-12-22(38-18(4)31)13-28(8,9)29(15,35)11-10-16(2)37-27-26(41-21(7)34)25(40-20(6)33)24(39-19(5)32)23(42-27)14-36-17(3)30/h10-11,15-16,22-27,35H,12-14H2,1-9H3/b11-10+/t15-,16+,22+,23+,24+,25-,26+,27+,29-/m1/s1 |
| InChIKey | CGUVAWASYYSHLS-UKNQVCSASA-N |
| Mol Weight | 600.7 g/mol |
| Molecular Formula | C29H44O13 |
| Exact Mass | 600.278191 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ExRSsxVEG2Y |
|---|---|
| Name | ALANGIONOSIDE-A-PENTAACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44O13 |
| InChI | InChI=1S/C29H44O13/c1-15-12-22(38-18(4)31)13-28(8,9)29(15,35)11-10-16(2)37-27-26(41-21(7)34)25(40-20(6)33)24(39-19(5)32)23(42-27)14-36-17(3)30/h10-11,15-16,22-27,35H,12-14H2,1-9H3/b11-10+/t15-,16+,22+,23+,24+,25-,26+,27+,29-/m1/s1 |
| InChIKey | CGUVAWASYYSHLS-UKNQVCSASA-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 | 600.661 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS24570 |