| SpectraBase Compound ID | I6L9mJ5tm47 |
|---|---|
| InChI | InChI=1S/C27H45NO2/c1-17-5-10-24(28-16-17)27(4,30)23-9-8-21-20-7-6-18-15-19(29)11-13-25(18,2)22(20)12-14-26(21,23)3/h6,17,19-24,28-30H,5,7-16H2,1-4H3/t17-,19-,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1 |
| InChIKey | IYNBEJALSUEFDB-DVKCRANESA-N |
| Mol Weight | 415.7 g/mol |
| Molecular Formula | C27H45NO2 |
| Exact Mass | 415.34503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7gSHRkrIsYN |
|---|---|
| Name | 16-Deoxyvertaline B |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 415.345029691 u |
| Formula | C27H45NO2 |
| InChI | InChI=1S/C27H45NO2/c1-17-5-10-24(28-16-17)27(4,30)23-9-8-21-20-7-6-18-15-19(29)11-13-25(18,2)22(20)12-14-26(21,23)3/h6,17,19-24,28-30H,5,7-16H2,1-4H3/t17-,19-,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1 |
| InChIKey | IYNBEJALSUEFDB-DVKCRANESA-N |
| Molecular Weight | 415.662 g/mol |
| SMILES | [C@]1(CC[C@@]2(C)C(C1)=CC[C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])([C@@](C)(O)[C@@]1(NC[C@](CC1)(C)[H])[H])[H])[H])[H])(O)[H] |