| SpectraBase Compound ID | IBXi0PNJqAz |
|---|---|
| InChI | InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30?/m1/s1 |
| InChIKey | NISPVUDLMHQFRQ-FXRVYMMGSA-N |
| Mol Weight | 514.7 g/mol |
| Molecular Formula | C30H42O7 |
| Exact Mass | 514.293054 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FkXQxtUx1k8 |
|---|---|
| Name | AGLICA-CUCURBITACIN-I |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H42O7 |
| InChI | InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30?/m1/s1 |
| InChIKey | NISPVUDLMHQFRQ-FXRVYMMGSA-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 | 514.659 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU36005 |