| SpectraBase Compound ID | 2bifb0fYvpY |
|---|---|
| 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+/m0/s1 |
| InChIKey | RMRJXGBAOAMLHD-CNAAIXTJSA-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 | 2v5eKJ523fj |
|---|---|
| Name | BUPRENORPHINE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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+/m0/s1 |
| InChIKey | RMRJXGBAOAMLHD-CNAAIXTJSA-N |
| Instrument Name | GC |
| Molecular Weight | 467.650 g/mol |
| SMILES | OC(C1C[C@@]23CC[C@@]1(C1[C@]22CCN([C@]3(Cc3ccc(c(O1)c23)O)[H])CC1CC1)OC)(C(C)(C)C)C |
| SPLASH | splash10-004i-5798500000-d864055343ea0e7f25ff |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |