| SpectraBase Compound ID | 4ZJ6fbA7Jd8 |
|---|---|
| InChI | InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12+,13-,16+,17-,18+/m1/s1 |
| InChIKey | MQIAICAGVFTAAN-GRQVCSLSSA-N |
| Mol Weight | 516.6 g/mol |
| Molecular Formula | C24H32N6O5S |
| Exact Mass | 516.215489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K8SCMb68N11 |
|---|---|
| Name | AERUCYCLAMIDE_C |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H32N6O5S |
| InChI | InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12+,13-,16+,17-,18+/m1/s1 |
| InChIKey | MQIAICAGVFTAAN-GRQVCSLSSA-N |
| Literature Reference Author | C.PORTMANN,J.F.BLOM,M.KAISER,R.BRUN,F.JUETTNER,K.GADEMANN |
| Literature Reference Citation | J.NAT.PROD.,71,1891(2008) |
| Literature Reference DOI | 10.1021/np800409z |
| Molecular Weight | 516.615 g/mol |
| Sample ID | 29294 |
| Solvent | DMSO-D6 |