| SpectraBase Compound ID | C3bIpqqZAMk |
|---|---|
| InChI | InChI=1S/C29H36O15/c1-8-13(3)26(34)42-22-10-19-18(9-2)28(37-11-20(19)27(35)43-22)44-29-25(40-17(7)33)24(39-16(6)32)23(38-15(5)31)21(41-29)12-36-14(4)30/h8-9,11,18-19,21-25,28-29H,2,10,12H2,1,3-7H3/b13-8+/t18-,19+,21+,22+,23+,24-,25+,28+,29-/m1/s1 |
| InChIKey | KKBVIBQMIGSADA-KTHRCPIUSA-N |
| Mol Weight | 624.6 g/mol |
| Molecular Formula | C29H36O15 |
| Exact Mass | 624.20542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3OT4YQD6evm |
|---|---|
| Name | CHELONANTHOSIDE-TETRAACETATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O15 |
| InChI | InChI=1S/C29H36O15/c1-8-13(3)26(34)42-22-10-19-18(9-2)28(37-11-20(19)27(35)43-22)44-29-25(40-17(7)33)24(39-16(6)32)23(38-15(5)31)21(41-29)12-36-14(4)30/h8-9,11,18-19,21-25,28-29H,2,10,12H2,1,3-7H3/b13-8+/t18-,19+,21+,22+,23+,24-,25+,28+,29-/m1/s1 |
| InChIKey | KKBVIBQMIGSADA-KTHRCPIUSA-N |
| Literature Reference Author | Y.SHIOBARA,K.KATO,Y.UEDA,K.TANIUE,E.SYOHA,N.NESHIMOTO,F.D.OL IVEIRA,G.AKISUE,M.K. |
| Literature Reference Citation | PHYTOCHEM.,37,1649(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89585-0 |
| Molecular Weight | 624.596 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS6414 |