| SpectraBase Compound ID | KJeu3QDB6Co |
|---|---|
| InChI | InChI=1S/C38H44O20/c1-19(40)51-17-29-34(53-20(2)41)33(48)35(54-21(3)42)37(55-29)58-38(18-39)36(56-31(46)13-9-23-7-11-25(44)27(15-23)50-5)32(47)28(57-38)16-52-30(45)12-8-22-6-10-24(43)26(14-22)49-4/h6-15,28-29,32-37,39,43-44,47-48H,16-18H2,1-5H3/b12-8+,13-9+/t28-,29-,32-,33+,34-,35-,36+,37-,38+/m0/s1 |
| InChIKey | VIYLZUDAAGEJSD-MTZBKJLJSA-N |
| Mol Weight | 820.7 g/mol |
| Molecular Formula | C38H44O20 |
| Exact Mass | 820.242594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KMVsasnE8jT |
|---|---|
| Name | SMIGLASIDE-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H44O20 |
| InChI | InChI=1S/C38H44O20/c1-19(40)51-17-29-34(53-20(2)41)33(48)35(54-21(3)42)37(55-29)58-38(18-39)36(56-31(46)13-9-23-7-11-25(44)27(15-23)50-5)32(47)28(57-38)16-52-30(45)12-8-22-6-10-24(43)26(14-22)49-4/h6-15,28-29,32-37,39,43-44,47-48H,16-18H2,1-5H3/b12-8+,13-9+/t28-,29-,32-,33+,34-,35-,36+,37-,38+/m0/s1 |
| InChIKey | VIYLZUDAAGEJSD-MTZBKJLJSA-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 | 820.755 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU2302 |