| SpectraBase Compound ID | 1ZOXcBybBsQ |
|---|---|
| InChI | InChI=1S/C22H32O6/c1-11-10-16-18-17-14(6-8-21(18,4)27-13(3)23)12(2)20(25)28-22(5,19(17)26-16)9-7-15(11)24/h12,14-19,24H,1,6-10H2,2-5H3/t12-,14+,15-,16+,17+,18+,19+,21-,22+/m1/s1 |
| InChIKey | QODOELUKAUITNQ-QKAGPBIOSA-N |
| Mol Weight | 392.5 g/mol |
| Molecular Formula | C22H32O6 |
| Exact Mass | 392.219889 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GcJkm8NdXnp |
|---|---|
| Name | Briarellin K |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32O6 |
| InChI | InChI=1S/C22H32O6/c1-11-10-16-18-17-14(6-8-21(18,4)27-13(3)23)12(2)20(25)28-22(5,19(17)26-16)9-7-15(11)24/h12,14-19,24H,1,6-10H2,2-5H3/t12-,14+,15-,16+,17+,18+,19+,21-,22+/m1/s1 |
| InChIKey | QODOELUKAUITNQ-QKAGPBIOSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0204500 |
| Molecular Weight | 392.492 g/mol |
| Optical Rotation | [a]D26 = -14.9 (c = 1.2, CHCl3) |
| Reported Formula | C22H32O6 |
| SMILES | O[C@]1(C(C[C@]2([C@@]3([C@@](CC[C@@]4([C@@]3([C@](O2)([C@@](OC([C@@]4(C)[H])=O)(CC1)C)[H])[H])[H])(OC(C)=O)C)[H])[H])=C)[H] |
| SPLASH | splash10-053r-9312000000-0a96b28eca9c73f370d7 |
| Source of Spectrum | G4-66-361-2 |
| Wiley ID | 1881283 |