| SpectraBase Compound ID | 2JqMzqoXhKF |
|---|---|
| InChI | InChI=1S/C26H44O12S/c1-23(13-36-21-19(30)18(29)20(15(11-27)37-21)38-39(33,34)35)7-3-8-24(2)16(23)6-9-25-10-14(4-5-17(24)25)26(32,12-28)22(25)31/h14-22,27-32H,3-13H2,1-2H3,(H,33,34,35)/t14-,15+,16-,17+,18+,19+,20+,21+,22-,23+,24-,25-,26+/m1/s1 |
| InChIKey | HJEHDEXPBQDTOL-CAFFQYJFSA-N |
| Mol Weight | 580.7 g/mol |
| Molecular Formula | C26H44O12S |
| Exact Mass | 580.255348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HJ3Hj8RNYFs |
|---|---|
| Name | TRICALYSIOSIDE-X;TRICALYSIOSIDE-T-4'-O-SULFATE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H44O12S |
| InChI | InChI=1S/C26H44O12S/c1-23(13-36-21-19(30)18(29)20(15(11-27)37-21)38-39(33,34)35)7-3-8-24(2)16(23)6-9-25-10-14(4-5-17(24)25)26(32,12-28)22(25)31/h14-22,27-32H,3-13H2,1-2H3,(H,33,34,35)/t14-,15+,16-,17+,18+,19+,20+,21+,22-,23+,24-,25-,26+/m1/s1 |
| InChIKey | HJEHDEXPBQDTOL-CAFFQYJFSA-N |
| Literature Reference Author | J.SHITAMOTO,S.SUGIMOTO,K.MATSUNAMI,H.OTSUKA,T.SHINZATO,Y.TAK EDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,72(2011) |
| Literature Reference DOI | 10.1248/cpb.59.72 |
| Molecular Weight | 580.688 g/mol |
| Sample ID | 2623 |
| Solvent | CD3OD |