| SpectraBase Compound ID | Bb7F1EvWqre |
|---|---|
| InChI | InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21+,24-,26+,27-,28+,29-/m1/s1 |
| InChIKey | RMRJXGBAOAMLHD-APFHJBAPSA-N |
| Mol Weight | 467.7 g/mol |
| Molecular Formula | C29H41NO4 |
| Exact Mass | 467.303559 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FC7dsmVROGF |
|---|---|
| Name | Buprenorphine |
| Catalog Number | 14025 |
| CAS Registry Number | 53152-21-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H41NO4 |
| InChI | InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21+,24-,26+,27-,28+,29-/m1/s1 |
| InChIKey | RMRJXGBAOAMLHD-APFHJBAPSA-N |
| Molecular Weight | 467.650 g/mol |
| SMILES | O[C@@]([C@@]1([C@]2([C@@]3(Oc4c(ccc5c4[C@]33[C@](C1)([C@](C5)(N(CC3)CC1CC1)[H])CC2)O)[H])OC)[H])(C(C)(C)C)C |
| SPLASH | splash10-0a6r-9755200000-8db00f2f268343220242 |
| Source of Spectrum | CAY-2023-1019-0 |
| Wiley ID | 1888976 |