| SpectraBase Compound ID | 5BczJfejf6Z |
|---|---|
| InChI | InChI=1S/C26H33ClO15/c1-10(28)35-9-17-21(37-12(3)30)23(39-14(5)32)24(40-15(6)33)26(41-17)42-25-18-16(7-8-34-25)20(36-11(2)29)19(27)22(18)38-13(4)31/h7-8,16-26H,9H2,1-6H3/t16-,17+,18?,19-,20+,21+,22-,23-,24+,25+,26-/m1/s1 |
| InChIKey | MGWQSLJKPVEPBO-BUCFIVHPSA-N |
| Mol Weight | 621.0 g/mol |
| Molecular Formula | C26H33ClO15 |
| Exact Mass | 620.150798 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HgPCDkEY06G |
|---|---|
| Name | 5-DEOXYTHUNBERGIOSIDE-HEXAACETATE |
| Compound Number | 8A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H33ClO15 |
| InChI | InChI=1S/C26H33ClO15/c1-10(28)35-9-17-21(37-12(3)30)23(39-14(5)32)24(40-15(6)33)26(41-17)42-25-18-16(7-8-34-25)20(36-11(2)29)19(27)22(18)38-13(4)31/h7-8,16-26H,9H2,1-6H3/t16-,17+,18?,19-,20+,21+,22-,23-,24+,25+,26-/m1/s1 |
| InChIKey | MGWQSLJKPVEPBO-BUCFIVHPSA-N |
| Literature Reference Author | S.DAMTOFT,H.FRANZYK,S.R.JENSEN,B.J.NIELSEN |
| Literature Reference Citation | PHYTOCHEM.,34,239(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90811-2 |
| Molecular Weight | 620.992 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU7247 |