| SpectraBase Compound ID | BwJArr36fyC |
|---|---|
| InChI | InChI=1S/C34H40N4O5/c1-22(2)31-29(37-32(40)27(38(3)4)21-24-11-7-5-8-12-24)34(42)36-28(30(39)25-13-9-6-10-14-25)33(41)35-20-19-23-15-17-26(43-31)18-16-23/h5-20,22,27-31,39H,21H2,1-4H3,(H,35,41)(H,36,42)(H,37,40)/b20-19-/t27-,28-,29-,30+,31-/m0/s1 |
| InChIKey | YCOHIMQJGPGODE-QORMHQHQSA-N |
| Mol Weight | 584.7 g/mol |
| Molecular Formula | C34H40N4O5 |
| Exact Mass | 584.29987 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7Cw7ZRiwbU9 |
|---|---|
| Name | Scutianine D |
| Appearance | White Needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H40N4O5 |
| InChI | InChI=1S/C34H40N4O5/c1-22(2)31-29(37-32(40)27(38(3)4)21-24-11-7-5-8-12-24)34(42)36-28(30(39)25-13-9-6-10-14-25)33(41)35-20-19-23-15-17-26(43-31)18-16-23/h5-20,22,27-31,39H,21H2,1-4H3,(H,35,41)(H,36,42)(H,37,40)/b20-19-/t27-,28-,29-,30+,31-/m0/s1 |
| InChIKey | YCOHIMQJGPGODE-QORMHQHQSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np800377y |
| Molecular Weight | 584.717 g/mol |
| Optical Rotation | [a]D20 = -196 (c = 0.1, CHCl3) |
| SMILES | N1C([C@]([C@@](c2ccccc2)(O)[H])(NC([C@]([C@@](Oc2ccc(\C=C/1)cc2)(C(C)C)[H])(NC(=O)[C@@](N(C)C)(Cc1ccccc1)[H])[H])=O)[H])=O |
| SPLASH | splash10-0002-0900000000-fcbe6a7c75ac474400a9 |
| Source of Spectrum | G4-72-SM5-5 |
| Wiley ID | 1872164 |