| SpectraBase Compound ID | DuH6PPRDdYQ |
|---|---|
| InChI | InChI=1S/C28H38N4O6/c1-28(2)27(37)30-20(16-18-10-5-3-6-11-18)26(36)32-15-9-13-21(32)25(35)29-19(24(34)31-28)12-7-4-8-14-22(33)23-17-38-23/h3,5-6,10-11,19-21,23H,4,7-9,12-17H2,1-2H3,(H,29,35)(H,30,37)(H,31,34) |
| InChIKey | SGYJGGKDGBXCNY-UHFFFAOYSA-N |
| Mol Weight | 526.6 g/mol |
| Molecular Formula | C28H38N4O6 |
| Exact Mass | 526.279135 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ILA7y7uuaUV |
|---|---|
| Name | Chlamydocin |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H38N4O6 |
| InChI | InChI=1S/C28H38N4O6/c1-28(2)27(37)30-20(16-18-10-5-3-6-11-18)26(36)32-15-9-13-21(32)25(35)29-19(24(34)31-28)12-7-4-8-14-22(33)23-17-38-23/h3,5-6,10-11,19-21,23H,4,7-9,12-17H2,1-2H3,(H,29,35)(H,30,37)(H,31,34) |
| InChIKey | SGYJGGKDGBXCNY-UHFFFAOYSA-N |
| Molecular Weight | 526.634 g/mol |
| SMILES | N1C(C(C)(C)NC(C(CCCCCC(C2CO2)=O)NC(C2CCCN2C(C1Cc1ccccc1)=O)=O)=O)=O |
| SPLASH | splash10-004i-0000930000-eb707d7a14f54adaf04c |
| Source of Spectrum | SO-0-366-15 |
| Synonyms | 6,6-dimethyl-9-[6-(2-oxiranyl)-6-oxohexyl]-3-(phenylmethyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone 3-benzyl-6,6-dimethyl-9-[6-(oxiran-2-yl)-6-oxohexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone 3-benzyl-6,6-dimethyl-9-[6-(oxiran-2-yl)-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone 6,6-dimethyl-9-[6-oxidanylidene-6-(oxiran-2-yl)hexyl]-3-(phenylmethyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone |
| Wiley ID | 1538831 |