| SpectraBase Compound ID | IppzhxkakLr |
|---|---|
| InChI | InChI=1S/C20H36O3/c1-14-6-7-15-17(2,3)16(22)8-9-19(15,5)20(14)11-10-18(4,23-20)12-13-21/h14-16,21-22H,6-13H2,1-5H3/t14-,15-,16-,18-,19-,20+/m0/s1 |
| InChIKey | IFDKAJZHSHFNDP-WKSOIMLMSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C20H36O3 |
| Exact Mass | 324.266445 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | APssKOZOy0y |
|---|---|
| Name | Mopaneol A |
| Appearance | Pale yellow oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H36O3 |
| InChI | InChI=1S/C20H36O3/c1-14-6-7-15-17(2,3)16(22)8-9-19(15,5)20(14)11-10-18(4,23-20)12-13-21/h14-16,21-22H,6-13H2,1-5H3/t14-,15-,16-,18-,19-,20+/m0/s1 |
| InChIKey | IFDKAJZHSHFNDP-WKSOIMLMSA-N |
| Instrument Name | HP 5890-5972 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0202430 |
| Molecular Weight | 324.505 g/mol |
| Reported Formula | C20H36O3 |
| SMILES | O[C@]1(CC[C@@]2([C@@]3(CC[C@@](CCO)(O3)C)[C@](CC[C@]2(C1(C)C)[H])(C)[H])C)[H] |
| SPLASH | splash10-06di-0900000000-88e4df5dfb37f77ff385 |
| Source of Spectrum | G4-66-33-1 |
| Wiley ID | 1881159 |