![8,14-dithia-1-azapentacyclo[11.7.1.0(2,7).0(9,21).0(15,20)]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triol](/api/spectrum/GuS5VmYukVv/structure.png?h=300&w=458 "8,14-dithia-1-azapentacyclo[11.7.1.0(2,7).0(9,21).0(15,20)]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triol")
| SpectraBase Compound ID | EJF7SSVh4K |
|---|---|
| InChI | InChI=1S/C18H11NO3S2/c20-9-1-3-12-14(5-9)23-16-7-11(22)8-17-18(16)19(12)13-4-2-10(21)6-15(13)24-17/h1-8,20-22H |
| InChIKey | RQHXMJOPLPLUSI-UHFFFAOYSA-N |
| Mol Weight | 353.41 g/mol |
| Molecular Formula | C18H11NO3S2 |
| Exact Mass | 353.018036 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GuS5VmYukVv |
|---|---|
| Name | 8,14-dithia-1-azapentacyclo[11.7.1.0(2,7).0(9,21).0(15,20)]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,11,17-triol |
| Appearance | Grey solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H11NO3S2 |
| InChI | InChI=1S/C18H11NO3S2/c20-9-1-3-12-14(5-9)23-16-7-11(22)8-17-18(16)19(12)13-4-2-10(21)6-15(13)24-17/h1-8,20-22H |
| InChIKey | RQHXMJOPLPLUSI-UHFFFAOYSA-N |
| Instrument Name | QMD 100 Carlo Erba |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/ejoc.201801493 |
| SMILES | Oc1cc2c(N3c4c(Sc5c3c(cc(c5)O)S2)cc(cc4)O)cc1 |
| SPLASH | splash10-0udi-0119000000-7d1f97ce329e285e9ea4 |
| Source of Spectrum | U1-2019-173-3m |
| Wiley ID | 1843590 |