| SpectraBase Compound ID | 4VtEFoDFDwz |
|---|---|
| InChI | InChI=1S/C40H46N4O6/c45-27-7-5-23-17-29-39(47)11-9-25(35-37(39,31(23)33(27)49-35)13-15-43(29)19-21-1-2-21)41-42-26-10-12-40(48)30-18-24-6-8-28(46)34-32(24)38(40,36(26)50-34)14-16-44(30)20-22-3-4-22/h5-8,21-22,29-30,35-36,45-48H,1-4,9-20H2/b41-25+,42-26+/t29-,30-,35?,36?,37+,38+,39-,40?/m0/s1 |
| InChIKey | GSYDZKZBXPTRGD-VCHZNXFYSA-N |
| Mol Weight | 678.8 g/mol |
| Molecular Formula | C40H46N4O6 |
| Exact Mass | 678.341735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BRSAsH2B0iw |
|---|---|
| Name | NALTREXONE-AZINE |
| CAS Registry Number | 91797-53-4 |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H46N4O6 |
| InChI | InChI=1S/C40H46N4O6/c45-27-7-5-23-17-29-39(47)11-9-25(35-37(39,31(23)33(27)49-35)13-15-43(29)19-21-1-2-21)41-42-26-10-12-40(48)30-18-24-6-8-28(46)34-32(24)38(40,36(26)50-34)14-16-44(30)20-22-3-4-22/h5-8,21-22,29-30,35-36,45-48H,1-4,9-20H2/b41-25+,42-26+/t29-,30-,35?,36?,37+,38+,39-,40?/m0/s1 |
| InChIKey | GSYDZKZBXPTRGD-VCHZNXFYSA-N |
| Literature Reference Author | V.M.KOLB,D.H.HUA |
| Literature Reference Citation | J.ORG.CHEM.,49,3824(1984) |
| Literature Reference DOI | 10.1021/jo00194a029 |
| Molecular Weight | 678.828 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS12486 |