| SpectraBase Compound ID | hYxyHbH3Jr |
|---|---|
| InChI | InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1 |
| InChIKey | MLBROOJXUZKDHY-PKPICYNOSA-N |
| Mol Weight | 586.74 g/mol |
| Molecular Formula | C26H30N6O4S3 |
| Exact Mass | 586.149067 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8KsfbrSKK3t |
|---|---|
| Name | AERUCYCLAMIDE_D |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H30N6O4S3 |
| InChI | InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1 |
| InChIKey | MLBROOJXUZKDHY-PKPICYNOSA-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 | 586.742 g/mol |
| Sample ID | 29295 |
| Solvent | DMSO-D6 |