| SpectraBase Compound ID | 4TlkxhxDY10 |
|---|---|
| InChI | InChI=1S/C26H40N5O.ClH/c1-17(11-14-31-16-30(6)24-22(31)23(27)28-15-29-24)9-12-25(4)18(2)10-13-26(5)19(3)20(32)7-8-21(25)26;/h11,15-16,18,20-21,32H,3,7-10,12-14H2,1-2,4-6H3,(H2,27,28,29);1H/q+1;/p-1/b17-11+;/t18-,20+,21-,25+,26-;/m0./s1 |
| InChIKey | NABXKTUOYIFKNL-SUARXPRUSA-M |
| Mol Weight | 474.1 g/mol |
| Molecular Formula | C26H40ClN5O |
| Exact Mass | 473.292139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4UMsxSyqUKa |
|---|---|
| Name | AGELASINE-I |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H40ClN5O |
| InChI | InChI=1S/C26H40N5O.ClH/c1-17(11-14-31-16-30(6)24-22(31)23(27)28-15-29-24)9-12-25(4)18(2)10-13-26(5)19(3)20(32)7-8-21(25)26;/h11,15-16,18,20-21,32H,3,7-10,12-14H2,1-2,4-6H3,(H2,27,28,29);1H/q+1;/p-1/b17-11+;/t18-,20+,21-,25+,26-;/m0./s1 |
| InChIKey | NABXKTUOYIFKNL-SUARXPRUSA-M |
| Literature Reference Author | X.FU,F.J.SCHMITZ,R.S.TANNER,M.KELLY-BORGES |
| Literature Reference Citation | J.NAT.PROD.,61,548(1998) |
| Literature Reference DOI | 10.1021/np970454i |
| Molecular Weight | 474.090 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCP603 |