| SpectraBase Compound ID | 57v4Y2aDNZk |
|---|---|
| InChI | InChI=1S/C34H48O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-32-40-27-25-28-31(20-35,39-28)29(37)33(38)24(18-22(4)26(33)36)34(25,42-32)23(5)19-30(27,41-32)21(2)3/h14-18,23-25,27-29,35,37-38H,2,6-13,19-20H2,1,3-5H3/b15-14+,17-16+/t23-,24?,25-,27-,28?,29?,30-,31?,32-,33?,34+/m1/s1 |
| InChIKey | VWGORPXMXKBHER-RMKGOXMXSA-N |
| Mol Weight | 584.8 g/mol |
| Molecular Formula | C34H48O8 |
| Exact Mass | 584.334918 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8beyp0Yzv5x |
|---|---|
| Name | Huratoxin |
| CAS Registry Number | 33465-16-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H48O8 |
| InChI | InChI=1S/C34H48O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-32-40-27-25-28-31(20-35,39-28)29(37)33(38)24(18-22(4)26(33)36)34(25,42-32)23(5)19-30(27,41-32)21(2)3/h14-18,23-25,27-29,35,37-38H,2,6-13,19-20H2,1,3-5H3/b15-14+,17-16+/t23-,24?,25-,27-,28?,29?,30-,31?,32-,33?,34+/m1/s1 |
| InChIKey | VWGORPXMXKBHER-RMKGOXMXSA-N |
| Molecular Weight | 584.750 g/mol |
| SMILES | OCC12C([C@@]3([C@@]4(C5C=C(C(C5(C2O)O)=O)C)[C@@](C[C@]2([C@@]3(O[C@@](O2)(\C=C\C=C\CCCCCCCCC)O4)[H])C(=C)C)(C)[H])[H])O1 |
| SPLASH | splash10-0udi-0000190000-9275f1c18e0d5c1cfb28 |
| Source of Spectrum | B-32-2505-0 |
| Wiley ID | 1408871 |