| SpectraBase Compound ID | 5C9dTUqY1OO |
|---|---|
| InChI | InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17?,18-,21?,22?,23?,24+,25?/m0/s1 |
| InChIKey | CAHCBJPUTCKATP-SDKFKCHSSA-N |
| Mol Weight | 411.5 g/mol |
| Molecular Formula | C25H33NO4 |
| Exact Mass | 411.240959 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A6a08SrL02b |
|---|---|
| Name | ETORPHINE ISOMER |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C25H33NO4 |
| InChI | InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17?,18-,21?,22?,23?,24+,25?/m0/s1 |
| InChIKey | CAHCBJPUTCKATP-SDKFKCHSSA-N |
| Instrument Name | GC |
| Molecular Weight | 411.542 g/mol |
| SMILES | OC(C1CC23C=CC1(C1[C@]22CCN([C@]3(Cc3ccc(c(O1)c23)O)[H])C)OC)(C)CCC |
| SPLASH | splash10-000f-9651000000-bc4ec98850c0bf81b798 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |