| SpectraBase Compound ID | GR6wT7YcnHj |
|---|---|
| InChI | InChI=1S/C34H40N4O4/c1-23(2)31-30(37-33(40)29(38(3)4)22-26-13-9-6-10-14-26)34(41)36-28(21-25-11-7-5-8-12-25)32(39)35-20-19-24-15-17-27(42-31)18-16-24/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19-/t28-,29-,30-,31+/m0/s1 |
| InChIKey | PEINZJYANJZEKK-GQIVPORTSA-N |
| Mol Weight | 568.7 g/mol |
| Molecular Formula | C34H40N4O4 |
| Exact Mass | 568.304956 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1i8UE456UY |
|---|---|
| Name | Scutianine B |
| Appearance | White powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H40N4O4 |
| InChI | InChI=1S/C34H40N4O4/c1-23(2)31-30(37-33(40)29(38(3)4)22-26-13-9-6-10-14-26)34(41)36-28(21-25-11-7-5-8-12-25)32(39)35-20-19-24-15-17-27(42-31)18-16-24/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19-/t28-,29-,30-,31+/m0/s1 |
| InChIKey | PEINZJYANJZEKK-GQIVPORTSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np800377y |
| Molecular Weight | 568.718 g/mol |
| Optical Rotation | [a]D20 = -296 (c = 0.1 CHCl3) |
| SMILES | N1C([C@](Cc2ccccc2)(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 | splash10-0002-1900100000-818c838530eee0f2275f |
| Source of Spectrum | G4-72-SM4-3 |
| Wiley ID | 1872162 |