| SpectraBase Compound ID | K8JJ5WHlMOL |
|---|---|
| InChI | InChI=1S/C17H17NO10S/c1-17(2)25-13-9-7(12-15(14(13)26-17)28-29(21,22)27-12)5-3-6-11(24-4-23-6)10(19)8(5)16(20)18-9/h3,7,9,12-15,19H,4H2,1-2H3,(H,18,20)/t7-,9-,12?,13+,14+,15?/m1/s1 |
| InChIKey | JJWAXBPDPNOWPA-UZIBTRKUSA-N |
| Mol Weight | 427.38 g/mol |
| Molecular Formula | C17H17NO10S |
| Exact Mass | 427.057317 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JAk1ISQTO4t |
|---|---|
| Name | 1-Isopancratistatin 1,2-cyclic sulfate-3,4-diacetonide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H17NO10S |
| InChI | InChI=1S/C17H17NO10S/c1-17(2)25-13-9-7(12-15(14(13)26-17)28-29(21,22)27-12)5-3-6-11(24-4-23-6)10(19)8(5)16(20)18-9/h3,7,9,12-15,19H,4H2,1-2H3,(H,18,20)/t7-,9-,12?,13+,14+,15?/m1/s1 |
| InChIKey | JJWAXBPDPNOWPA-UZIBTRKUSA-N |
| Molecular Weight | 427.380 g/mol |
| SMILES | N1C(c2c(c3c(cc2[C@]2(C4OS(OC4[C@@]4([C@@](OC(O4)(C)C)([C@]12[H])[H])[H])(=O)=O)[H])OCO3)O)=O |
| SPLASH | splash10-004l-3161900000-e9bcfcd27efffad878b6 |
| Source of Spectrum | J-66-2587-12 |
| Wiley ID | 1534949 |