| SpectraBase Compound ID | Gx0JLjlrAu4 |
|---|---|
| InChI | InChI=1S/C23H36O7/c1-12-14-7-9-22(4,29-13(2)24)18-15-11-21(3,26)16(27-6)8-10-23(5,30-20(12)25)19(28-15)17(14)18/h12,14-19,26H,7-11H2,1-6H3/t12-,14+,15+,16-,17+,18+,19+,21-,22-,23+/m1/s1 |
| InChIKey | BFRZTCFDEPTFFN-BKQXXILRSA-N |
| Mol Weight | 424.5 g/mol |
| Molecular Formula | C23H36O7 |
| Exact Mass | 424.246103 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8Bi4g00HfNh |
|---|---|
| Name | Briarellin N |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H36O7 |
| InChI | InChI=1S/C23H36O7/c1-12-14-7-9-22(4,29-13(2)24)18-15-11-21(3,26)16(27-6)8-10-23(5,30-20(12)25)19(28-15)17(14)18/h12,14-19,26H,7-11H2,1-6H3/t12-,14+,15+,16-,17+,18+,19+,21-,22-,23+/m1/s1 |
| InChIKey | BFRZTCFDEPTFFN-BKQXXILRSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0204500 |
| Molecular Weight | 424.534 g/mol |
| Optical Rotation | [a]D20 = -13.6 (c = 1.1, CHCl3) |
| Reported Formula | C23H36O7 |
| SMILES | O[C@@]1(C[C@]2([C@@]3([C@@](CC[C@@]4([C@@]3([C@](O2)([C@@](OC([C@@]4(C)[H])=O)(CC[C@]1(OC)[H])C)[H])[H])[H])(OC(C)=O)C)[H])[H])C |
| SPLASH | splash10-004i-3912000000-bf2dea09157428961ad3 |
| Source of Spectrum | G4-66-362-7 |
| Wiley ID | 1881286 |