| SpectraBase Compound ID | 8x1JqnNihpW |
|---|---|
| InChI | InChI=1S/C22H32O7/c1-10-7-12(27-5)18(25)20(2)11(10)8-14-21(3)13(9-15(23)29-14)22(4,26)19(28-6)16(24)17(20)21/h7,10-11,13-14,16-17,19,24,26H,8-9H2,1-6H3/t10-,11+,13-,14-,16+,17-,19-,20+,21-,22+/m1/s1 |
| InChIKey | OFOPXAFBCZQTFU-KOEFXMDHSA-N |
| Mol Weight | 408.5 g/mol |
| Molecular Formula | C22H32O7 |
| Exact Mass | 408.214803 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B0HQYX8hqi0 |
|---|---|
| Name | Nigakilactone F |
| CAS Registry Number | 28387-43-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32O7 |
| InChI | InChI=1S/C22H32O7/c1-10-7-12(27-5)18(25)20(2)11(10)8-14-21(3)13(9-15(23)29-14)22(4,26)19(28-6)16(24)17(20)21/h7,10-11,13-14,16-17,19,24,26H,8-9H2,1-6H3/t10-,11+,13-,14-,16+,17-,19-,20+,21-,22+/m1/s1 |
| InChIKey | OFOPXAFBCZQTFU-KOEFXMDHSA-N |
| Molecular Weight | 408.491 g/mol |
| SMILES | O[C@@]1([C@]([C@]([C@]2([C@]3([C@]1([C@@]1([C@@](C[C@]3(OC(C2)=O)[H])([C@@](C=C(C1=O)OC)(C)[H])[H])C)[H])C)[H])(O)C)(OC)[H])[H] |
| SPLASH | splash10-02bf-0934000000-1885558dcfa54cd73c1f |
| Source of Spectrum | O8-0-297-0 |
| Synonyms | Picras-2-ene-1,16-dione, 11,13-dihydroxy-2,12-dimethoxy-, (11alpha,12beta)- |
| Wiley ID | 1372940 |