| SpectraBase Compound ID | 1CU5O9PRgHx |
|---|---|
| InChI | InChI=1S/C27H44N2O/c1-17(29-18(2)30)21-13-15-27(6)23-10-9-22-19(8-11-24(28-7)25(22,3)4)16-20(23)12-14-26(21,27)5/h12,16-17,21-24,28H,8-11,13-15H2,1-7H3,(H,29,30)/t17-,21+,22?,23?,24-,26+,27-/m0/s1 |
| InChIKey | PKXJWGJRRLLOMM-FODSPRLJSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C27H44N2O |
| Exact Mass | 412.345364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gsc7ldeFNn1 |
|---|---|
| Name | N(20)-ACETYLBUXAMINE-G;(20S)-20-ACETYLAMINO-3-BETA-METHYLAMINO-9,10-SECO-BUXA-9(11),10(19)-DIENE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44N2O |
| InChI | InChI=1S/C27H44N2O/c1-17(29-18(2)30)21-13-15-27(6)23-10-9-22-19(8-11-24(28-7)25(22,3)4)16-20(23)12-14-26(21,27)5/h12,16-17,21-24,28H,8-11,13-15H2,1-7H3,(H,29,30)/t17-,21+,22?,23?,24-,26+,27-/m0/s1 |
| InChIKey | PKXJWGJRRLLOMM-FODSPRLJSA-N |
| Literature Reference Author | F.LORU,D.DUVAL,A.AUMELAS,F.AKEB,D.GUEDON,R.GUEDJ |
| Literature Reference Citation | PHYTOCHEM.,54,951(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00036-4 |
| Molecular Weight | 412.659 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU1545 |