| SpectraBase Compound ID | Kicta529Dbv |
|---|---|
| InChI | InChI=1S/C32H44O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-14,19,21-22,25,34-35,39H,11,15-16H2,1-9H3/b13-12+/t19-,21-,22+,25+,29+,30-,31+,32?/m1/s1 |
| InChIKey | NDYMQXYDSVBNLL-XUACCXDDSA-N |
| Mol Weight | 556.7 g/mol |
| Molecular Formula | C32H44O8 |
| Exact Mass | 556.303618 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JKLABhAH2WD |
|---|---|
| Name | AGLICA-CUCURBITACIN-E |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H44O8 |
| InChI | InChI=1S/C32H44O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-14,19,21-22,25,34-35,39H,11,15-16H2,1-9H3/b13-12+/t19-,21-,22+,25+,29+,30-,31+,32?/m1/s1 |
| InChIKey | NDYMQXYDSVBNLL-XUACCXDDSA-N |
| Literature Reference Author | C.SEGER,S.STURM,M.E.MAIR,E.P.ELLMERER,H.STUPPNER |
| Literature Reference Citation | MAGN.RES.CHEM.,43,489(2005) |
| Literature Reference DOI | 10.1002/mrc.1570 |
| Molecular Weight | 556.697 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU36006 |