![Forticine [(20S,22S,25S)-5.alpha.-cevanin-3.beta.,6.beta.-diol]](/api/spectrum/5TucSBdf4za/structure.png?h=300&w=458 "Forticine [(20S,22S,25S)-5.alpha.-cevanin-3.beta.,6.beta.-diol]")
| SpectraBase Compound ID | IFUhxkxOtBZ |
|---|---|
| InChI | InChI=1S/C27H45NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-26,29-30H,4-14H2,1-3H3/t15-,16-,17-,18+,19+,20+,21?,22+,23-,24+,25?,26+,27+/m0/s1 |
| InChIKey | NEMWYOKGHGSVSC-INAAXJJPSA-N |
| Mol Weight | 415.7 g/mol |
| Molecular Formula | C27H45NO2 |
| Exact Mass | 415.34503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5TucSBdf4za |
|---|---|
| Name | Forticine [(20S,22S,25S)-5.alpha.-cevanin-3.beta.,6.beta.-diol] |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H45NO2 |
| InChI | InChI=1S/C27H45NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-26,29-30H,4-14H2,1-3H3/t15-,16-,17-,18+,19+,20+,21?,22+,23-,24+,25?,26+,27+/m0/s1 |
| InChIKey | NEMWYOKGHGSVSC-INAAXJJPSA-N |
| Molecular Weight | 415.662 g/mol |
| SMILES | O[C@@]1(CC2[C@@]3(CC[C@@]4([C@@](C5N(C[C@]4([C@@]3(C[C@@]2([C@@]2([C@@]1(C[C@](CC2)(O)[H])[H])C)[H])[H])[H])C[C@](CC5)(C)[H])(C)[H])[H])[H])[H] |
| SPLASH | splash10-0400-2902400000-f39a64f0653f7bc76a31 |
| Source of Spectrum | E2-50-1016-2 |
| Wiley ID | 1555925 |