![(7R)-3-(acetoxymethyl)-7-[(5-amino-6-hydroxy-6-keto-hexanoyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid](/api/spectrum/5kQtmxfptsZ/structure.png?h=300&w=458 "(7R)-3-(acetoxymethyl)-7-[(5-amino-6-hydroxy-6-keto-hexanoyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid")
| SpectraBase Compound ID | 3CDtTtQYjKq |
|---|---|
| InChI | InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/t9?,11-,14?/m1/s1 |
| InChIKey | HOKIDJSKDBPKTQ-GOSTWBGLSA-N |
| Mol Weight | 415.42 g/mol |
| Molecular Formula | C16H21N3O8S |
| Exact Mass | 415.104936 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5kQtmxfptsZ |
|---|---|
| Name | (7R)-3-(acetoxymethyl)-7-[(5-amino-6-hydroxy-6-keto-hexanoyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C16H21N3O8S |
| InChI | InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/t9?,11-,14?/m1/s1 |
| InChIKey | HOKIDJSKDBPKTQ-GOSTWBGLSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 415.418 g/mol |
| Source File Reference | MHKO534 |