| SpectraBase Compound ID | ByMnKLTRLtI |
|---|---|
| InChI | InChI=1S/C32H50N2O.2C2HF3O2/c35-31-19-15-11-7-2-1-6-10-14-18-29-25-33-21-16-12-8-4-3-5-9-13-17-28-23-30(32(29)20-22-33)26-34(24-28)27-31;2*3-2(4,5)1(6)7/h3-4,7-8,11-12,15,19,23,29-32,35H,1-2,5-6,9-10,13-14,16-18,20-22,24-27H2;2*(H,6,7)/b4-3-,11-7-,12-8+,19-15-;;/t29-,30+,31?,32-;;/m1../s1 |
| InChIKey | XZMQDSCQMQPYKG-MKWOEQNVSA-N |
| Mol Weight | 706.811 g/mol |
| Molecular Formula | C36H52F6N2O5 |
| Exact Mass | 706.378042 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4xR5Ew2rFgq |
|---|---|
| Name | 22-HYDROXYHALICYCLAMINE-A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H52F6N2O5 |
| InChI | InChI=1S/C32H50N2O.2C2HF3O2/c35-31-19-15-11-7-2-1-6-10-14-18-29-25-33-21-16-12-8-4-3-5-9-13-17-28-23-30(32(29)20-22-33)26-34(24-28)27-31;2*3-2(4,5)1(6)7/h3-4,7-8,11-12,15,19,23,29-32,35H,1-2,5-6,9-10,13-14,16-18,20-22,24-27H2;2*(H,6,7)/b4-3-,11-7-,12-8+,19-15-;;/t29-,30+,31?,32-;;/m1../s1 |
| InChIKey | XZMQDSCQMQPYKG-MKWOEQNVSA-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 | 706.810 g/mol |
| Solvent | CD3OD |