| SpectraBase Compound ID | IkBbhuitBc3 |
|---|---|
| InChI | InChI=1S/C26H30O4/c1-17(2)8-7-9-18-12-13-21(22(14-18)19-10-5-4-6-11-19)26(29)25-23(27)15-20(30-3)16-24(25)28/h4-6,8,10-12,15-16,21-22,27-28H,7,9,13-14H2,1-3H3/t21-,22+/m1/s1 |
| InChIKey | VJYZXZFPGQYBKT-YADHBBJMSA-N |
| Mol Weight | 406.52 g/mol |
| Molecular Formula | C26H30O4 |
| Exact Mass | 406.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KmmGDKVjgmY |
|---|---|
| Name | (+/-)-nicolaioidesin C |
| Appearance | White amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H30O4 |
| InChI | InChI=1S/C26H30O4/c1-17(2)8-7-9-18-12-13-21(22(14-18)19-10-5-4-6-11-19)26(29)25-23(27)15-20(30-3)16-24(25)28/h4-6,8,10-12,15-16,21-22,27-28H,7,9,13-14H2,1-3H3/t21-,22+/m1/s1 |
| InChIKey | VJYZXZFPGQYBKT-YADHBBJMSA-N |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020249p |
| Molecular Weight | 406.522 g/mol |
| Optical Rotation | [a]D20 = 0 (c = 0.042, MeOH) |
| Reported Formula | C26H30O4 |
| SMILES | Oc1cc(cc(c1C([C@@]1(CC=C(C[C@]1(c1ccccc1)[H])CCC=C(C)C)[H])=O)O)OC |
| SPLASH | splash10-014i-0900000000-c17bdc5f2e6d464338d3 |
| Source of Spectrum | G4-65-1619-3 |
| Wiley ID | 1883505 |