| SpectraBase Compound ID | E7TZh6KOKW9 |
|---|---|
| InChI | InChI=1S/C26H29N3O5/c1-22(2)10-8-13-15(34-22)7-6-14-17(13)27-20(32)25(14)18(30)26-16(23(25,3)4)12-24(19(31)28-26)9-5-11-29(24)21(26)33/h6-8,10,16,18,30H,5,9,11-12H2,1-4H3,(H,27,32)(H,28,31)/t16?,18-,24+,25?,26+/m0/s1 |
| InChIKey | CFJMAERFDLWMJL-YHPHEESQSA-N |
| Mol Weight | 463.53 g/mol |
| Molecular Formula | C26H29N3O5 |
| Exact Mass | 463.210721 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EI9zX6qI3a3 |
|---|---|
| Name | Sclerotiamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H29N3O5 |
| InChI | InChI=1S/C26H29N3O5/c1-22(2)10-8-13-15(34-22)7-6-14-17(13)27-20(32)25(14)18(30)26-16(23(25,3)4)12-24(19(31)28-26)9-5-11-29(24)21(26)33/h6-8,10,16,18,30H,5,9,11-12H2,1-4H3,(H,27,32)(H,28,31)/t16?,18-,24+,25?,26+/m0/s1 |
| InChIKey | CFJMAERFDLWMJL-YHPHEESQSA-N |
| Molecular Weight | 463.534 g/mol |
| SMILES | N1C([C@]23CCCN2C([C@@]11[C@](C2(C(Nc4c2ccc2OC(C=Cc42)(C)C)=O)C(C1C3)(C)C)(O)[H])=O)=O |
| SPLASH | splash10-069u-9414100000-6b96aac19a8ff017c0f6 |
| Source of Spectrum | G4-59-1095-1 |
| Wiley ID | 1606535 |