| SpectraBase Compound ID | BYGdSA2NnK |
|---|---|
| InChI | InChI=1S/C31H42N6O2.ClH/c1-21(13-17-37-20-36(5)28-26(37)27(32)34-19-35-28)11-14-30(3)22(2)12-15-31(4)23(8-6-10-25(30)31)18-39-29(38)24-9-7-16-33-24;/h7-9,13,16,19-20,22,25H,6,10-12,14-15,17-18H2,1-5H3,(H2-,32,33,34,35,38);1H/b21-13+;/t22-,25-,30+,31-;/m0./s1 |
| InChIKey | RACHZHDKVSXFEB-FOJJAWQWSA-N |
| Mol Weight | 567.2 g/mol |
| Molecular Formula | C31H43ClN6O2 |
| Exact Mass | 566.313602 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4fKri85SNdM |
|---|---|
| Name | AGELINE-B |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H43ClN6O2 |
| InChI | InChI=1S/C31H42N6O2.ClH/c1-21(13-17-37-20-36(5)28-26(37)27(32)34-19-35-28)11-14-30(3)22(2)12-15-31(4)23(8-6-10-25(30)31)18-39-29(38)24-9-7-16-33-24;/h7-9,13,16,19-20,22,25H,6,10-12,14-15,17-18H2,1-5H3,(H2-,32,33,34,35,38);1H/b21-13+;/t22-,25-,30+,31-;/m0./s1 |
| InChIKey | RACHZHDKVSXFEB-FOJJAWQWSA-N |
| 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 | 567.174 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCP601 |