| SpectraBase Compound ID | KHschaVZDak |
|---|---|
| InChI | InChI=1S/C28H46O12/c1-14(32)39-24-26-8-5-18-25(2,7-6-19(33)27(18,11-30)12-31)17(26)4-3-15(9-26)28(24,37)13-38-23-22(36)21(35)20(34)16(10-29)40-23/h15-24,29-31,33-37H,3-13H2,1-2H3/t15-,16+,17+,18+,19-,20+,21-,22+,23+,24-,25+,26-,28+/m1/s1 |
| InChIKey | KPBCFYROXAXRQW-TYPLNYKSSA-N |
| Mol Weight | 574.7 g/mol |
| Molecular Formula | C28H46O12 |
| Exact Mass | 574.298927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ncNm9ugjQY |
|---|---|
| Name | TRICALYSIOSIDE_O |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H46O12 |
| InChI | InChI=1S/C28H46O12/c1-14(32)39-24-26-8-5-18-25(2,7-6-19(33)27(18,11-30)12-31)17(26)4-3-15(9-26)28(24,37)13-38-23-22(36)21(35)20(34)16(10-29)40-23/h15-24,29-31,33-37H,3-13H2,1-2H3/t15-,16+,17+,18+,19-,20+,21-,22+,23+,24-,25+,26-,28+/m1/s1 |
| InChIKey | KPBCFYROXAXRQW-TYPLNYKSSA-N |
| Literature Reference Author | D.H.HE,K.MATSUNAMI,H.OTSUKA,T.SHINZATO,M.ARAMOTO,M.BANDO,Y.T AKEDA |
| Literature Reference Citation | PHYTOCHEM.,66,2857(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.09.014 |
| Molecular Weight | 574.666 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ19830 |