| SpectraBase Compound ID | 78OzAZFiWFa |
|---|---|
| InChI | InChI=1S/C37H40N4O5/c1-25(2)34-33(40-36(44)31-14-9-23-41(31)32(42)20-17-26-10-5-3-6-11-26)37(45)39-30(24-28-12-7-4-8-13-28)35(43)38-22-21-27-15-18-29(46-34)19-16-27/h3-8,10-13,15-22,25,30-31,33-34H,9,14,23-24H2,1-2H3,(H,38,43)(H,39,45)(H,40,44)/b20-17+,22-21-/t30?,31?,33-,34-/m0/s1 |
| InChIKey | NYOIXNGBYPQKPL-NNRPZTRGSA-N |
| Mol Weight | 620.8 g/mol |
| Molecular Formula | C37H40N4O5 |
| Exact Mass | 620.29987 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H0cqeXyFDiV |
|---|---|
| Name | Lotusanine-B |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 620.299870399 u |
| Formula | C37H40N4O5 |
| InChI | InChI=1S/C37H40N4O5/c1-25(2)34-33(40-36(44)31-14-9-23-41(31)32(42)20-17-26-10-5-3-6-11-26)37(45)39-30(24-28-12-7-4-8-13-28)35(43)38-22-21-27-15-18-29(46-34)19-16-27/h3-8,10-13,15-22,25,30-31,33-34H,9,14,23-24H2,1-2H3,(H,38,43)(H,39,45)(H,40,44)/b20-17+,22-21-/t30?,31?,33-,34-/m0/s1 |
| InChIKey | NYOIXNGBYPQKPL-NNRPZTRGSA-N |
| Molecular Weight | 620.750 g/mol |
| SMILES | C1(N(CCC1)C(\C=C\C1=CC=CC=C1)=O)C(N[C@@]1(C(NC(C(N\C=C/C=2C=CC(O[C@]1(C(C)C)[H])=CC2)=O)CC1=CC=CC=C1)=O)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903192 |