| SpectraBase Compound ID | 1O24DtxPqbn |
|---|---|
| InChI | InChI=1S/C40H64O12/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21/h21-36H,9-20H2,1-8H3/t21?,22?,23?,24?,25?,26?,27?,28?,29-,30?,31?,32?,33?,34+,35?,36?/m0/s1 |
| InChIKey | RMIXHJPMNBXMBU-QFUBBSRESA-N |
| Mol Weight | 736.9 g/mol |
| Molecular Formula | C40H64O12 |
| Exact Mass | 736.439777 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2HLqDHs2990 |
|---|---|
| Name | NONACTIN |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C40H64O12 |
| InChI | InChI=1S/C40H64O12/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21/h21-36H,9-20H2,1-8H3/t21?,22?,23?,24?,25?,26?,27?,28?,29-,30?,31?,32?,33?,34+,35?,36?/m0/s1 |
| InChIKey | RMIXHJPMNBXMBU-QFUBBSRESA-N |
| Molecular Weight | 736.4380 |
| SMILES | C12C(C)C(=O)OC(C)CC3CCC(O3)C(C)C(=O)OC(C)C[C@]3(O[C@](CC3)(C(C)C(=O)OC(C)CC3OC(CC3)C(C)C(=O)OC(C)CC(O1)CC2)[H])[H] |
| SPLASH | splash10-014l-9801000000-51ccb18289357ae90caa |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |