| SpectraBase Compound ID | 6buoEit5NYd |
|---|---|
| InChI | InChI=1S/C22H30O7/c1-10-6-12(26-5)18(24)20(2)11(10)7-14-21(3)13(8-15(23)29-14)22(4,25)19-16(17(20)21)27-9-28-19/h6,10-11,13-14,16-17,19,25H,7-9H2,1-5H3/t10-,11+,13-,14-,16-,17-,19+,20+,21-,22+/m1/s1 |
| InChIKey | DUAQCTANPNATFA-UIZDONGJSA-N |
| Mol Weight | 406.48 g/mol |
| Molecular Formula | C22H30O7 |
| Exact Mass | 406.199153 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ErbKoWvOMqh |
|---|---|
| Name | Nigakilactone L |
| CAS Registry Number | 35334-40-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30O7 |
| InChI | InChI=1S/C22H30O7/c1-10-6-12(26-5)18(24)20(2)11(10)7-14-21(3)13(8-15(23)29-14)22(4,25)19-16(17(20)21)27-9-28-19/h6,10-11,13-14,16-17,19,25H,7-9H2,1-5H3/t10-,11+,13-,14-,16-,17-,19+,20+,21-,22+/m1/s1 |
| InChIKey | DUAQCTANPNATFA-UIZDONGJSA-N |
| Molecular Weight | 406.475 g/mol |
| SMILES | O[C@@]1([C@@]2([C@@]([C@]3([C@@]4([C@]1(CC(O[C@@]4(C[C@@]1([C@@]3(C(C(=C[C@]1(C)[H])OC)=O)C)[H])[H])=O)[H])C)[H])(OCO2)[H])[H])C |
| SPLASH | splash10-1000-0922000000-95950d50e5e4b1bccf56 |
| Source of Spectrum | O8-0-297-0 |
| Wiley ID | 1372137 |