| SpectraBase Compound ID | AI9kTLJYlx5 |
|---|---|
| InChI | InChI=1S/C22H28N2O5/c1-12(25)15-8-13-10-21(20(26)29-3)18(15)24(11-13)7-6-22(27)16-9-14(28-2)4-5-17(16)23-19(21)22/h4-5,9,12-13,15,18,25,27H,6-8,10-11H2,1-3H3/t12-,13+,15+,18-,21-,22-/m1/s1 |
| InChIKey | MMANMJCGIGNJGH-ZKUIJHJESA-N |
| Mol Weight | 400.48 g/mol |
| Molecular Formula | C22H28N2O5 |
| Exact Mass | 400.199822 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7hkEC75W6Jl |
|---|---|
| Name | 19-epi-Voacristine hydroxyindolenine |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28N2O5 |
| InChI | InChI=1S/C22H28N2O5/c1-12(25)15-8-13-10-21(20(26)29-3)18(15)24(11-13)7-6-22(27)16-9-14(28-2)4-5-17(16)23-19(21)22/h4-5,9,12-13,15,18,25,27H,6-8,10-11H2,1-3H3/t12-,13+,15+,18-,21-,22-/m1/s1 |
| InChIKey | MMANMJCGIGNJGH-ZKUIJHJESA-N |
| Instrument Name | JEOL HX-110 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020548e |
| Molecular Weight | 400.475 g/mol |
| Optical Rotation | [a]D = +6 (c = 0.36, CHCl3); |
| Reported Formula | C22H28N2O5 |
| SMILES | O[C@]12C([C@]3(C[C@]4(CN([C@@]3([C@]([C@@](C)(O)[H])(C4)[H])[H])CC1)[H])C(=O)OC)=Nc1c2cc(cc1)OC |
| SPLASH | splash10-0udl-0844900000-8169f383f0d05f0c6ef4 |
| Source of Spectrum | G4-66-531-2 |
| Wiley ID | 1881367 |