| SpectraBase Compound ID | 1SzaLaHdYVE |
|---|---|
| InChI | InChI=1S/C22H34O7/c1-11-13-6-8-21(4,28-12(2)23)17-14-10-20(3,26)15(24)7-9-22(5,29-19(11)25)18(27-14)16(13)17/h11,13-18,24,26H,6-10H2,1-5H3/t11-,13+,14+,15-,16+,17+,18+,20-,21-,22+/m1/s1 |
| InChIKey | MATSVTSXOGSXAL-DZBBDLEOSA-N |
| Mol Weight | 410.5 g/mol |
| Molecular Formula | C22H34O7 |
| Exact Mass | 410.230453 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 89r39vgVVbX |
|---|---|
| Name | Briarellin M |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H34O7 |
| InChI | InChI=1S/C22H34O7/c1-11-13-6-8-21(4,28-12(2)23)17-14-10-20(3,26)15(24)7-9-22(5,29-19(11)25)18(27-14)16(13)17/h11,13-18,24,26H,6-10H2,1-5H3/t11-,13+,14+,15-,16+,17+,18+,20-,21-,22+/m1/s1 |
| InChIKey | MATSVTSXOGSXAL-DZBBDLEOSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0204500 |
| Molecular Weight | 410.507 g/mol |
| Optical Rotation | [a]D26 = -14.5 (c = 1.0, CHCl3) |
| Reported Formula | C22H34O7 |
| SMILES | O[C@@]1(CC[C@]2([C@@]3([C@]4([C@@](CC[C@]([C@]4([C@](C[C@@]1(C)O)(O3)[H])[H])(OC(C)=O)C)([C@](C(O2)=O)(C)[H])[H])[H])[H])C)[H] |
| SPLASH | splash10-0ar0-0936000000-b1ee5593ec26d86cb1a4 |
| Source of Spectrum | G4-66-362-6 |
| Wiley ID | 1881285 |