| SpectraBase Compound ID | GKpeX4ZNMfK |
|---|---|
| InChI | InChI=1S/C18H18N2O7S3/c21-6-1-7-11(23)8-4(6)2-18(30-29-7)16(27)19-9-5-3-17(19,15(26)20(8)18)28-14(10(5)22)13(25)12(9)24/h4-5,7-9,11-14,23-25H,1-3H2/t4-,5+,7+,8-,9-,11-,12+,13+,14+,17+,18+/m0/s1 |
| InChIKey | SPLIJUQASWTCRI-KZOHNSNHSA-N |
| Mol Weight | 470.53 g/mol |
| Molecular Formula | C18H18N2O7S3 |
| Exact Mass | 470.027614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JFRbjcAaXhJ |
|---|---|
| Name | EPICOCCIN_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H18N2O7S3 |
| InChI | InChI=1S/C18H18N2O7S3/c21-6-1-7-11(23)8-4(6)2-18(30-29-7)16(27)19-9-5-3-17(19,15(26)20(8)18)28-14(10(5)22)13(25)12(9)24/h4-5,7-9,11-14,23-25H,1-3H2/t4-,5+,7+,8-,9-,11-,12+,13+,14+,17+,18+/m0/s1 |
| InChIKey | SPLIJUQASWTCRI-KZOHNSNHSA-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 | 470.530 g/mol |
| Sample ID | 31602 |
| Solvent | DMSO-D6 |