| SpectraBase Compound ID | 687Ajt8GuW8 |
|---|---|
| InChI | InChI=1S/C26H40N5.ClH/c1-19(13-15-26(5)21(3)11-8-12-22(26)4)9-7-10-20(2)14-16-31-18-30(6)25-23(31)24(27)28-17-29-25;/h9,11,14,17-18,22H,7-8,10,12-13,15-16H2,1-6H3,(H2,27,28,29);1H/q+1;/p-1/b19-9+,20-14+;/t22-,26-;/m0./s1 |
| InChIKey | NGAASWSXRQKIFQ-LPMOHPDMSA-M |
| Mol Weight | 458.1 g/mol |
| Molecular Formula | C26H40ClN5 |
| Exact Mass | 457.297224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D182ylPeK8t |
|---|---|
| Name | AGELASINE_F |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H40ClN5 |
| InChI | InChI=1S/C26H40N5.ClH/c1-19(13-15-26(5)21(3)11-8-12-22(26)4)9-7-10-20(2)14-16-31-18-30(6)25-23(31)24(27)28-17-29-25;/h9,11,14,17-18,22H,7-8,10,12-13,15-16H2,1-6H3,(H2,27,28,29);1H/q+1;/p-1/b19-9+,20-14+;/t22-,26-;/m0./s1 |
| InChIKey | NGAASWSXRQKIFQ-LPMOHPDMSA-M |
| Literature Reference Author | G.R.PETTIT,Y.TANG,Q.ZHANG,G.T.BOURNE,C.A.ARM,J.E.LEET,J.C.KN IGHT,R.K.PETTIT,J.C. |
| Literature Reference Citation | J.NAT.PROD.,76,420(2013) |
| Literature Reference DOI | 10.1021/np300828y |
| Molecular Weight | 458.090 g/mol |
| Sample ID | 42301 |
| Solvent | CDCl3 |