| SpectraBase Compound ID | 1HJRC3d9liG |
|---|---|
| InChI | InChI=1S/C24H32N6O4S2/c1-6-11(3)17-23-30-19(13(5)34-23)22(33)25-8-16-26-14(9-35-16)20(31)29-18(12(4)7-2)24-27-15(10-36-24)21(32)28-17/h9-13,17-19H,6-8H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12+,13-,17+,18-,19+/m1/s1 |
| InChIKey | JFWABYMXSVHLEW-UURCRVLFSA-N |
| Mol Weight | 532.7 g/mol |
| Molecular Formula | C24H32N6O4S2 |
| Exact Mass | 532.192646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KVEba2bi1Od |
|---|---|
| Name | AERUCYCLAMIDE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H32N6O4S2 |
| InChI | InChI=1S/C24H32N6O4S2/c1-6-11(3)17-23-30-19(13(5)34-23)22(33)25-8-16-26-14(9-35-16)20(31)29-18(12(4)7-2)24-27-15(10-36-24)21(32)28-17/h9-13,17-19H,6-8H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12+,13-,17+,18-,19+/m1/s1 |
| InChIKey | JFWABYMXSVHLEW-UURCRVLFSA-N |
| Literature Reference Author | C.PORTMANN,J.F.BLOM,K.GADEMANN,F.JUETTNER |
| Literature Reference Citation | J.NAT.PROD.,71,1193(2008) |
| Literature Reference DOI | 10.1021/np800118g |
| Molecular Weight | 532.676 g/mol |
| Sample ID | 28657 |
| Solvent | DMSO-D6 |