| SpectraBase Compound ID | 515VYiqQAOH |
|---|---|
| InChI | InChI=1S/C22H26N2O5/c1-11(25)15-8-12-10-22(21(27)29-3)18-14(6-7-24(19(15)22)20(12)26)16-9-13(28-2)4-5-17(16)23-18/h4-5,9,11-12,15,19,23,25H,6-8,10H2,1-3H3/t11-,12+,15+,19-,22+/m1/s1 |
| InChIKey | OZUSKNIPJRUWKJ-VKGPKCIYSA-N |
| Mol Weight | 398.46 g/mol |
| Molecular Formula | C22H26N2O5 |
| Exact Mass | 398.184172 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5IBT4ye4Vqt |
|---|---|
| Name | 19-epi-3-Oxovoacristine |
| Appearance | Pale yellow oil |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H26N2O5 |
| InChI | InChI=1S/C22H26N2O5/c1-11(25)15-8-12-10-22(21(27)29-3)18-14(6-7-24(19(15)22)20(12)26)16-9-13(28-2)4-5-17(16)23-18/h4-5,9,11-12,15,19,23,25H,6-8,10H2,1-3H3/t11-,12+,15+,19-,22+/m1/s1 |
| InChIKey | OZUSKNIPJRUWKJ-VKGPKCIYSA-N |
| Instrument Name | JEOL HX-110 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020548e |
| Molecular Weight | 398.459 g/mol |
| Optical Rotation | [a]D = -10 (c = 0.42, CHCl3) |
| Reported Formula | C22H26N2O5 |
| SMILES | [nH]1c2c(c3c1[C@]1(C[C@]4(C(N([C@@]1([C@]([C@@](C)(O)[H])(C4)[H])[H])CC3)=O)[H])C(=O)OC)cc(cc2)OC |
| SPLASH | splash10-0002-0309000000-e5dbfa01bf46a652350e |
| Source of Spectrum | G4-66-531-1 |
| Wiley ID | 1881366 |