| SpectraBase Compound ID | 4SoCxXZRUe3 |
|---|---|
| InChI | InChI=1S/C27H42O4/c1-16(28)31-21-14-20-25(4)12-7-11-24(2,3)18(25)10-13-26(20,5)19-9-8-17-15-30-23(29)22(17)27(19,21)6/h8,18-23,29H,7,9-15H2,1-6H3/t18?,19?,20-,21+,22+,23+,25-,26-,27+/m1/s1 |
| InChIKey | IDZDIJBVDDHIIM-YPUNUBTASA-N |
| Mol Weight | 430.6 g/mol |
| Molecular Formula | C27H42O4 |
| Exact Mass | 430.30831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BJH0xmtwoD9 |
|---|---|
| Name | 12-epi-Deoxoscalarin |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O4 |
| InChI | InChI=1S/C27H42O4/c1-16(28)31-21-14-20-25(4)12-7-11-24(2,3)18(25)10-13-26(20,5)19-9-8-17-15-30-23(29)22(17)27(19,21)6/h8,18-23,29H,7,9-15H2,1-6H3/t18?,19?,20-,21+,22+,23+,25-,26-,27+/m1/s1 |
| InChIKey | IDZDIJBVDDHIIM-YPUNUBTASA-N |
| Molecular Weight | 430.629 g/mol |
| SMILES | O[C@]1(OCC=2[C@@]1([C@]1(C([C@]3(CCC4[C@]([C@]3(C[C@@]1(OC(=O)C)[H])[H])(CCCC4(C)C)C)C)CC2)C)[H])[H] |
| SPLASH | splash10-074o-0519200000-990ae2cdee6fd941acc2 |
| Source of Spectrum | X2-52-1262-7 |
| Wiley ID | 1603365 |