| SpectraBase Compound ID | G3uV7ap9t9Z |
|---|---|
| InChI | InChI=1S/C30H36N2O5/c1-4-29-14-31(3)25-18-13-36-23(10-20(18)29)30(26(25)29)19-7-5-6-8-21(19)32(28(30)35)11-16-24-17(12-33)15(2)9-22(24)37-27(16)34/h4-8,15-18,20,22-26,33H,1,9-14H2,2-3H3/t15-,16-,17+,18-,20+,22-,23+,24+,25?,26?,29-,30-/m0/s1 |
| InChIKey | QTXUXQFNNPLFTD-SEDTUDQNSA-N |
| Mol Weight | 504.6 g/mol |
| Molecular Formula | C30H36N2O5 |
| Exact Mass | 504.262422 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3rWTwE8tkQN |
|---|---|
| Name | Gelsebanine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H36N2O5 |
| InChI | InChI=1S/C30H36N2O5/c1-4-29-14-31(3)25-18-13-36-23(10-20(18)29)30(26(25)29)19-7-5-6-8-21(19)32(28(30)35)11-16-24-17(12-33)15(2)9-22(24)37-27(16)34/h4-8,15-18,20,22-26,33H,1,9-14H2,2-3H3/t15-,16-,17+,18-,20+,22-,23+,24+,25?,26?,29-,30-/m0/s1 |
| InChIKey | QTXUXQFNNPLFTD-SEDTUDQNSA-N |
| Molecular Weight | 504.627 g/mol |
| SMILES | OC[C@]1([C@]2([C@](CN3C([C@@]4(C5[C@@]6([C@]7([H])C[C@]4(OC[C@@]7(C5N(C)C6)[H])[H])C=C)c4c3cccc4)=O)(C(O[C@]2(C[C@@]1(C)[H])[H])=O)[H])[H])[H] |
| SPLASH | splash10-0pb9-0912660000-253c0d5e658bf34dbdad |
| Source of Spectrum | G4-69-1349-1 |
| Wiley ID | 1694465 |