| SpectraBase Compound ID | 9FG4PwjUMUh |
|---|---|
| InChI | InChI=1S/C18H18N2O6S3/c21-7-1-9-13(23)11-5(7)3-17(27-9)15(25)20-12-6-4-18(20,16(26)19(11)17)29-28-10(14(12)24)2-8(6)22/h5-6,9-14,23-24H,1-4H2/t5-,6-,9+,10+,11-,12-,13-,14-,17+,18+/m0/s1 |
| InChIKey | VZUJNQMBOQHGKN-DXOBHMFTSA-N |
| Mol Weight | 454.53 g/mol |
| Molecular Formula | C18H18N2O6S3 |
| Exact Mass | 454.0327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3uhfxpBy9td |
|---|---|
| Name | EPICOCCIN_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H18N2O6S3 |
| InChI | InChI=1S/C18H18N2O6S3/c21-7-1-9-13(23)11-5(7)3-17(27-9)15(25)20-12-6-4-18(20,16(26)19(11)17)29-28-10(14(12)24)2-8(6)22/h5-6,9-14,23-24H,1-4H2/t5-,6-,9+,10+,11-,12-,13-,14-,17+,18+/m0/s1 |
| InChIKey | VZUJNQMBOQHGKN-DXOBHMFTSA-N |
| Literature Reference Author | Y.ZHANG,S.LIU,Y.CHE,X.LIU |
| Literature Reference Citation | J.NAT.PROD.,70,1522(2007) |
| Literature Reference DOI | 10.1021/np070239u |
| Molecular Weight | 454.531 g/mol |
| Sample ID | 31601 |
| Solvent | DMSO-D6 |