| SpectraBase Compound ID | I4RQ2sJxmFn |
|---|---|
| InChI | InChI=1S/C16H19N5O4.C2HF3O2/c17-16(18)19-7-3-6-12(15(24)25)21-14(23)13(22)10-8-20-11-5-2-1-4-9(10)11;3-2(4,5)1(6)7/h1-2,4-5,8,12,20H,3,6-7H2,(H,21,23)(H,24,25)(H4,17,18,19);(H,6,7)/t12-;/m0./s1 |
| InChIKey | OLFLHQUGLQKVLA-YDALLXLXSA-N |
| Mol Weight | 459.38 g/mol |
| Molecular Formula | C18H20F3N5O6 |
| Exact Mass | 459.136568 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KwB4ue4DJuW |
|---|---|
| Name | LEPTOCLINIDAMINE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H20F3N5O6 |
| InChI | InChI=1S/C16H19N5O4.C2HF3O2/c17-16(18)19-7-3-6-12(15(24)25)21-14(23)13(22)10-8-20-11-5-2-1-4-9(10)11;3-2(4,5)1(6)7/h1-2,4-5,8,12,20H,3,6-7H2,(H,21,23)(H,24,25)(H4,17,18,19);(H,6,7)/t12-;/m0./s1 |
| InChIKey | OLFLHQUGLQKVLA-YDALLXLXSA-N |
| Literature Reference Author | A.R.CARROLL,V.M.AVERY |
| Literature Reference Citation | J.NAT.PROD.,72,696(2009) |
| Literature Reference DOI | 10.1021/np800831z |
| Molecular Weight | 459.382 g/mol |
| Sample ID | 32453 |
| Solvent | DMSO-D6 |