| SpectraBase Compound ID | 3yABOnyWGD1 |
|---|---|
| InChI | InChI=1S/C11H18O4/c1-2-6-3-4-8-11(13)7(12)5-9(14-8)15-10(6)11/h6-10,12-13H,2-5H2,1H3/t6-,7+,8+,9-,10-,11-/m1/s1 |
| InChIKey | VPNRLNAIVJHRND-FSKPYACHSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C11H18O4 |
| Exact Mass | 214.120509 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7YPkrSR2bYF |
|---|---|
| Name | Agistatine B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H18O4 |
| InChI | InChI=1S/C11H18O4/c1-2-6-3-4-8-11(13)7(12)5-9(14-8)15-10(6)11/h6-10,12-13H,2-5H2,1H3/t6-,7+,8+,9-,10-,11-/m1/s1 |
| InChIKey | VPNRLNAIVJHRND-FSKPYACHSA-N |
| Molecular Weight | 214.261 g/mol |
| SMILES | O[C@]1(C[C@]2(O[C@]3([C@@]1([C@@](O2)(CC[C@]3(CC)[H])[H])O)[H])[H])[H] |
| SPLASH | splash10-01ow-5910000000-985c7ea16f2b9160f8a8 |
| Source of Spectrum | U-1996-632-2 |
| Wiley ID | 768310 |