| SpectraBase Compound ID | HwzQ9utXhOR |
|---|---|
| InChI | InChI=1S/C21H33N3O2.BF4/c1-3-18-8-4-5-11-21(26-18)14-17-10-9-16-13-20(12-6-7-15(2)25-20)22-19(23-21)24(16)17;2-1(3,4)5/h4,8,15-18H,3,5-7,9-14H2,1-2H3,(H,22,23);/q;-1/p+1/t15-,16-,17+,18+,20-,21+;/m1./s1 |
| InChIKey | AOICXELLIZRMFZ-LOFKQEJBSA-O |
| Mol Weight | 447.3 g/mol |
| Molecular Formula | C21H34BF4N3O2 |
| Exact Mass | 447.26802 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3wNMaHyWO25 |
|---|---|
| Name | CRAMBESCIDIN-359-TETRAFLUOROBORATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H34BF4N3O2 |
| InChI | InChI=1S/C21H33N3O2.BF4/c1-3-18-8-4-5-11-21(26-18)14-17-10-9-16-13-20(12-6-7-15(2)25-20)22-19(23-21)24(16)17;2-1(3,4)5/h4,8,15-18H,3,5-7,9-14H2,1-2H3,(H,22,23);/q;-1/p+1/t15-,16-,17+,18+,20-,21+;/m1./s1 |
| InChIKey | AOICXELLIZRMFZ-LOFKQEJBSA-O |
| Literature Reference Author | K.NAGASAWA,A.GEORGIEVA,H.KOSHINO,T.NAKATA,T.KITA,Y.HASHIMOTO |
| Literature Reference Citation | ORG.LETTERS,4,177(2002) |
| Literature Reference DOI | 10.1021/ol0168263 |
| Molecular Weight | 447.323 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU35813 |