| SpectraBase Compound ID | 9cWHeEM0tRD |
|---|---|
| InChI | InChI=1S/C45H48O21/c1-24(46)59-21-34-39(54)41(56)42(62-25(2)47)44(63-34)66-45(23-61-37(52)16-9-26-5-12-29(48)13-6-26)43(64-38(53)18-11-28-8-15-31(50)33(20-28)58-4)40(55)35(65-45)22-60-36(51)17-10-27-7-14-30(49)32(19-27)57-3/h5-20,34-35,39-44,48-50,54-56H,21-23H2,1-4H3/b16-9+,17-10+,18-11+/t34-,35-,39-,40-,41+,42-,43+,44-,45+/m0/s1 |
| InChIKey | YFAXMABMBMMXFJ-LFDWWACASA-N |
| Mol Weight | 924.9 g/mol |
| Molecular Formula | C45H48O21 |
| Exact Mass | 924.268809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EbKyQqtbzsS |
|---|---|
| Name | SMIGLASIDE-E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H48O21 |
| InChI | InChI=1S/C45H48O21/c1-24(46)59-21-34-39(54)41(56)42(62-25(2)47)44(63-34)66-45(23-61-37(52)16-9-26-5-12-29(48)13-6-26)43(64-38(53)18-11-28-8-15-31(50)33(20-28)58-4)40(55)35(65-45)22-60-36(51)17-10-27-7-14-30(49)32(19-27)57-3/h5-20,34-35,39-44,48-50,54-56H,21-23H2,1-4H3/b16-9+,17-10+,18-11+/t34-,35-,39-,40-,41+,42-,43+,44-,45+/m0/s1 |
| InChIKey | YFAXMABMBMMXFJ-LFDWWACASA-N |
| Literature Reference Author | T.CHEN,J.X.LI,Q.XU |
| Literature Reference Citation | PHYTOCHEM.,53,1051(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00522-1 |
| Molecular Weight | 924.864 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU2304 |