| SpectraBase Compound ID | 19jVfU4JIEo |
|---|---|
| InChI | InChI=1S/C30H43NO6/c1-17-7-5-13-29(3)25(36-29)23-19(11-9-17)21(27(32)34-23)15-31-16-22-20-12-10-18(2)8-6-14-30(4)26(37-30)24(20)35-28(22)33/h7-8,19-26,31H,5-6,9-16H2,1-4H3/b17-7+,18-8+/t19-,20-,21-,22-,23?,24?,25-,26-,29+,30+/m0/s1 |
| InChIKey | DXIYNAXXEJWFNB-ILGLSRCKSA-N |
| Mol Weight | 513.7 g/mol |
| Molecular Formula | C30H43NO6 |
| Exact Mass | 513.309038 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JAFLbxbTHGZ |
|---|---|
| Name | Bis-parthenolidine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H43NO6 |
| InChI | InChI=1S/C30H43NO6/c1-17-7-5-13-29(3)25(36-29)23-19(11-9-17)21(27(32)34-23)15-31-16-22-20-12-10-18(2)8-6-14-30(4)26(37-30)24(20)35-28(22)33/h7-8,19-26,31H,5-6,9-16H2,1-4H3/b17-7+,18-8+/t19-,20-,21-,22-,23?,24?,25-,26-,29+,30+/m0/s1 |
| InChIKey | DXIYNAXXEJWFNB-ILGLSRCKSA-N |
| Molecular Weight | 513.675 g/mol |
| SMILES | N(C[C@]1([C@]2(C([C@@]3(O[C@@]3(CC\C=C\(CC2)C)C)[H])OC1=O)[H])[H])C[C@@]1(C(OC2[C@@]3(O[C@@]3(CC\C=C\(CC[C@@]12[H])C)C)[H])=O)[H] |
| SPLASH | splash10-004i-0090000000-36e96d683f1d095b87ee |
| Source of Spectrum | X2-50-895-3 |
| Wiley ID | 1602414 |