| SpectraBase Compound ID | 4tiBcgTMdtr |
|---|---|
| InChI | InChI=1S/C22H31NO3/c1-16(15-21(23)24)11-12-17(2)22(26-5)18(3)20(25-4)14-13-19-9-7-6-8-10-19/h6-15,17-18,20,22H,1-5H3,(H2,23,24)/b12-11+,14-13+,16-15+/t17-,18+,20-,22-/m1/s1 |
| InChIKey | JCMQQWWEDGWMJB-GCVSBSCASA-N |
| Mol Weight | 357.49 g/mol |
| Molecular Formula | C22H31NO3 |
| Exact Mass | 357.230394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3XLRB1NzdzX |
|---|---|
| Name | AUTHENTIC-CROCACIN-C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H31NO3 |
| InChI | InChI=1S/C22H31NO3/c1-16(15-21(23)24)11-12-17(2)22(26-5)18(3)20(25-4)14-13-19-9-7-6-8-10-19/h6-15,17-18,20,22H,1-5H3,(H2,23,24)/b12-11+,14-13+,16-15+/t17-,18+,20-,22-/m1/s1 |
| InChIKey | JCMQQWWEDGWMJB-GCVSBSCASA-N |
| Literature Reference Author | L.C.DIAS,L.G.D.OLIVEIRA |
| Literature Reference Citation | ORG.LETTERS,3,3951(2001) |
| Literature Reference DOI | 10.1021/ol016845c |
| Molecular Weight | 357.493 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWLU33988 |