| SpectraBase Compound ID | 4rkIlIMtaAu |
|---|---|
| InChI | InChI=1S/C27H45NO3/c1-14-9-25(31)26(28-13-14)16(3)18-5-6-19-20(15(18)2)11-22-21(19)12-24(30)23-10-17(29)7-8-27(22,23)4/h14-23,25-26,28-29,31H,5-13H2,1-4H3/t14-,15?,16-,17-,18?,19+,20?,21-,22-,23+,25+,26+,27+/m0/s1 |
| InChIKey | JUTQZBMKZTWAHJ-QHQSOYSZSA-N |
| Mol Weight | 431.7 g/mol |
| Molecular Formula | C27H45NO3 |
| Exact Mass | 431.339944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BiPgkJcEjTu |
|---|---|
| Name | Dihydrostenanzine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 431.339944310 u |
| Formula | C27H45NO3 |
| InChI | InChI=1S/C27H45NO3/c1-14-9-25(31)26(28-13-14)16(3)18-5-6-19-20(15(18)2)11-22-21(19)12-24(30)23-10-17(29)7-8-27(22,23)4/h14-23,25-26,28-29,31H,5-13H2,1-4H3/t14-,15?,16-,17-,18?,19+,20?,21-,22-,23+,25+,26+,27+/m0/s1 |
| InChIKey | JUTQZBMKZTWAHJ-QHQSOYSZSA-N |
| Molecular Weight | 431.661 g/mol |
| SMILES | [C@]12([C@@]3([C@@]([C@@]4(CCC(C(C4C3)C)[C@@]([C@]3(NC[C@](C[C@]3(O)[H])(C)[H])[H])(C)[H])[H])([H])CC([C@]1(C[C@](CC2)(O)[H])[H])=O)[H])C |