| SpectraBase Compound ID | 8FktRINYXGy |
|---|---|
| InChI | InChI=1S/C48H52O23/c1-25(49)63-23-38-44(66-26(2)50)43(59)45(67-27(3)51)47(68-38)71-48(24-65-40(56)17-11-29-8-14-32(53)35(20-29)61-5)46(69-41(57)18-12-30-9-15-33(54)36(21-30)62-6)42(58)37(70-48)22-64-39(55)16-10-28-7-13-31(52)34(19-28)60-4/h7-21,37-38,42-47,52-54,58-59H,22-24H2,1-6H3/b16-10+,17-11+,18-12+/t37-,38-,42-,43+,44-,45-,46+,47-,48+/m0/s1 |
| InChIKey | FLBSVECXTJOGJU-DAVPVIFVSA-N |
| Mol Weight | 996.9 g/mol |
| Molecular Formula | C48H52O23 |
| Exact Mass | 996.289938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H7XWpOGM3Zp |
|---|---|
| Name | SMIGLASIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H52O23 |
| InChI | InChI=1S/C48H52O23/c1-25(49)63-23-38-44(66-26(2)50)43(59)45(67-27(3)51)47(68-38)71-48(24-65-40(56)17-11-29-8-14-32(53)35(20-29)61-5)46(69-41(57)18-12-30-9-15-33(54)36(21-30)62-6)42(58)37(70-48)22-64-39(55)16-10-28-7-13-31(52)34(19-28)60-4/h7-21,37-38,42-47,52-54,58-59H,22-24H2,1-6H3/b16-10+,17-11+,18-12+/t37-,38-,42-,43+,44-,45-,46+,47-,48+/m0/s1 |
| InChIKey | FLBSVECXTJOGJU-DAVPVIFVSA-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 | 996.927 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU2300 |