| SpectraBase Compound ID | G9t8R5Hkyeq |
|---|---|
| InChI | InChI=1S/C36H44N4O2.ClH/c41-30-14-11-13-26-27-15-18-37-32(33(27)38-31(26)30)28-23-36(42)17-8-4-1-2-5-9-19-39-21-16-29(28)35(24-39)22-25-12-7-3-6-10-20-40(25)34(35)36;/h1,4,7,11-15,18,23,25,29,34,38,41-42H,2-3,5-6,8-10,16-17,19-22,24H2;1H/b4-1-,12-7-;/t25-,29-,34+,35-,36-;/m0./s1 |
| InChIKey | GYJGTBJENNAZIP-GSHLDZDHSA-N |
| Mol Weight | 601.2 g/mol |
| Molecular Formula | C36H45ClN4O2 |
| Exact Mass | 600.323104 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4EsryK7sI0G |
|---|---|
| Name | 8-HYDROXY-MANZAMINE-A-HYDROCHLORIDE;REF.9 |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H45ClN4O2 |
| InChI | InChI=1S/C36H44N4O2.ClH/c41-30-14-11-13-26-27-15-18-37-32(33(27)38-31(26)30)28-23-36(42)17-8-4-1-2-5-9-19-39-21-16-29(28)35(24-39)22-25-12-7-3-6-10-20-40(25)34(35)36;/h1,4,7,11-15,18,23,25,29,34,38,41-42H,2-3,5-6,8-10,16-17,19-22,24H2;1H/b4-1-,12-7-;/t25-,29-,34+,35-,36-;/m0./s1 |
| InChIKey | GYJGTBJENNAZIP-GSHLDZDHSA-N |
| Literature Reference Author | B.ZHANG,R.HIGUCHI,T.MIYAMOTO,R.W.M.V.SOEST |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,866(2008) |
| Literature Reference DOI | 10.1248/cpb.56.866 |
| Molecular Weight | 601.232 g/mol |
| Sample ID | 1825 |
| Solvent | CDCl3 |