| SpectraBase Compound ID | ALel3NeCPkZ |
|---|---|
| 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+ |
| InChIKey | NISPVUDLMHQFRQ-VAWYXSNFSA-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 | FTn4agFfNbk |
|---|---|
| Name | Cucurbitacin I |
| CAS Registry Number | 2222-07-3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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+ |
| InChIKey | NISPVUDLMHQFRQ-VAWYXSNFSA-N |
| Literature Reference | Tetrahedron 39, 317 (1983). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |