| SpectraBase Compound ID | F5xXf7fCszH |
|---|---|
| InChI | InChI=1S/C32H43NO9/c1-6-33-14-30(15-38-2)18(34)12-19(39-3)32-17-13-31(37)27(42-29(36)16-10-8-7-9-11-16)20(17)21(23(35)28(31)41-5)22(26(32)33)24(40-4)25(30)32/h7-11,17-22,24-28,34,37H,6,12-15H2,1-5H3/t17-,18-,19+,20+,21+,22+,24+,25-,26?,27-,28+,30+,31-,32+/m1/s1 |
| InChIKey | RMTJALKWXOBAMX-BMWSJLQCSA-N |
| Mol Weight | 585.7 g/mol |
| Molecular Formula | C32H43NO9 |
| Exact Mass | 585.293782 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4iOwKNd0z2 |
|---|---|
| Name | Pyroaconitine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H43NO9 |
| InChI | InChI=1S/C32H43NO9/c1-6-33-14-30(15-38-2)18(34)12-19(39-3)32-17-13-31(37)27(42-29(36)16-10-8-7-9-11-16)20(17)21(23(35)28(31)41-5)22(26(32)33)24(40-4)25(30)32/h7-11,17-22,24-28,34,37H,6,12-15H2,1-5H3/t17-,18-,19+,20+,21+,22+,24+,25-,26?,27-,28+,30+,31-,32+/m1/s1 |
| InChIKey | RMTJALKWXOBAMX-BMWSJLQCSA-N |
| Molecular Weight | 585.694 g/mol |
| SMILES | O[C@]1([C@@]2([C@@]3([C@]4([C@@]5(C[C@]6([C@@]([C@@]5([C@@]([C@](C4N(C2)CC)([C@@]3(OC)[H])[H])(C(=O)[C@@]6(OC)[H])[H])[H])(OC(=O)c2ccccc2)[H])O)[H])[C@](C1)(OC)[H])[H])COC)[H] |
| SPLASH | splash10-0pb9-0600090000-cbae5076c701536b0f70 |
| Source of Spectrum | X2-57-968-6 |
| Wiley ID | 1605520 |