| SpectraBase Compound ID | DwTeZ7fhPzK |
|---|---|
| InChI | InChI=1S/C26H40N5O.ClH/c1-18(11-14-31-17-30(5)24-22(31)23(27)28-16-29-24)9-12-25(3)19(2)10-13-26(4)20(15-32)7-6-8-21(25)26;/h7,11,16-17,19,21,32H,6,8-10,12-15H2,1-5H3,(H2,27,28,29);1H/q+1;/p-1/b18-11+;/t19-,21-,25+,26-;/m1./s1 |
| InChIKey | JCJDVOXFAVJIGQ-IHKCYWIPSA-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 | DUPCuSFjgic |
|---|---|
| Name | AGELASINE-H |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H40ClN5O |
| InChI | InChI=1S/C26H40N5O.ClH/c1-18(11-14-31-17-30(5)24-22(31)23(27)28-16-29-24)9-12-25(3)19(2)10-13-26(4)20(15-32)7-6-8-21(25)26;/h7,11,16-17,19,21,32H,6,8-10,12-15H2,1-5H3,(H2,27,28,29);1H/q+1;/p-1/b18-11+;/t19-,21-,25+,26-;/m1./s1 |
| InChIKey | JCJDVOXFAVJIGQ-IHKCYWIPSA-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 | UWCP602 |