| SpectraBase Compound ID | E79r8vLUXj9 |
|---|---|
| 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+/m0/s1 |
| InChIKey | IDZDIJBVDDHIIM-WYSIGAHCSA-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 | 6yjuPmmy61u |
|---|---|
| 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+/m0/s1 |
| InChIKey | IDZDIJBVDDHIIM-WYSIGAHCSA-N |
| Molecular Weight | 430.629 g/mol |
| SMILES | O[C@@]1(OCC=2[C@]1([C@@]1([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC1OC(=O)C)[H])(CCCC4(C)C)C)[H])C)(CC2)[H])C)[H])[H] |
| SPLASH | splash10-00kb-9422100000-c1c968e98ad87652b682 |
| Source of Spectrum | X2-52-292-2 |
| Wiley ID | 1603056 |