| SpectraBase Compound ID | 66KMXwwgTKs |
|---|---|
| InChI | InChI=1S/C32H50N2.2C2HF3O2/c1-2-5-10-14-18-23-34-26-29-19-15-11-7-4-6-9-13-17-22-33-24-21-32(31(25-29)28-34)30(27-33)20-16-12-8-3-1;2*3-2(4,5)1(6)7/h2,4-6,9-10,13-14,25,30-32H,1,3,7-8,11-12,15-24,26-28H2;2*(H,6,7)/b5-2-,6-4-,13-9+,14-10-;;/t30-,31+,32-;;/m1../s1 |
| InChIKey | IONFWERMXIPCJP-VIWLODLHSA-N |
| Mol Weight | 690.812 g/mol |
| Molecular Formula | C36H52F6N2O4 |
| Exact Mass | 690.383127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gxe6IbGQoDQ |
|---|---|
| Name | HALICYCLAMINE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H52F6N2O4 |
| InChI | InChI=1S/C32H50N2.2C2HF3O2/c1-2-5-10-14-18-23-34-26-29-19-15-11-7-4-6-9-13-17-22-33-24-21-32(31(25-29)28-34)30(27-33)20-16-12-8-3-1;2*3-2(4,5)1(6)7/h2,4-6,9-10,13-14,25,30-32H,1,3,7-8,11-12,15-24,26-28H2;2*(H,6,7)/b5-2-,6-4-,13-9+,14-10-;;/t30-,31+,32-;;/m1../s1 |
| InChIKey | IONFWERMXIPCJP-VIWLODLHSA-N |
| Literature Reference Author | S.MATSUNAGA,Y.MIYATA,R.W.M.V.SOEST,N.FUSETANI |
| Literature Reference Citation | J.NAT.PROD.,67,1758(2004) |
| Literature Reference DOI | 10.1021/np049824a |
| Molecular Weight | 690.810 g/mol |
| Solvent | CD3OD |