| 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 | KtPgspgiKYi |
|---|---|
| Name | CUCURBITACIN-I,ELATERICIN-B |
| CAS Registry Number | 2222-07-3 |
| 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 | V.VANDE-VELDE,D.LAVIE |
| Literature Reference Citation | TETRAHEDRON,39,317(1983) |
| Literature Reference DOI | 10.1016/S0040-4020(01)91826-5 |
| Molecular Weight | 514.659 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW13138 |