| SpectraBase Compound ID | BxeT7cMIRZX |
|---|---|
| InChI | InChI=1S/C25H41NO8/c1-6-26-10-22(11-31-2)13(27)7-14(32-3)25-12-8-23(29)15(33-4)9-24(30,16(12)21(23)28)17(20(25)26)18(34-5)19(22)25/h12-21,27-30H,6-11H2,1-5H3/t12-,13?,14?,15+,16-,17-,18?,19-,20-,21?,22+,23+,24-,25+/m1/s1 |
| InChIKey | WZGCQIYOKDLWMF-UXYOKHQBSA-N |
| Mol Weight | 483.6 g/mol |
| Molecular Formula | C25H41NO8 |
| Exact Mass | 483.283217 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ne2f1nJ3sy |
|---|---|
| Name | Pseudaconine |
| CAS Registry Number | 38146-89-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H41NO8 |
| InChI | InChI=1S/C25H41NO8/c1-6-26-10-22(11-31-2)13(27)7-14(32-3)25-12-8-23(29)15(33-4)9-24(30,16(12)21(23)28)17(20(25)26)18(34-5)19(22)25/h12-21,27-30H,6-11H2,1-5H3/t12-,13?,14?,15+,16-,17-,18?,19-,20-,21?,22+,23+,24-,25+/m1/s1 |
| InChIKey | WZGCQIYOKDLWMF-UXYOKHQBSA-N |
| Molecular Weight | 483.602 g/mol |
| SMILES | OC1[C@@]2(C[C@@]3([C@]1([C@@]([C@]1([C@@]4([C@@]33[C@@]([C@@](C(CC3OC)O)(CN4CC)COC)(C1OC)[H])[H])[H])(C[C@@]2(OC)[H])O)[H])[H])O |
| SPLASH | splash10-0udi-4300900000-07903da1dbe57d4c28e5 |
| Source of Spectrum | CD-283-0-0 |
| Wiley ID | 1395818 |