| SpectraBase Compound ID | KkTrVUqbMW1 |
|---|---|
| InChI | InChI=1S/C25H42O4/c1-15(27)16-13-24(5)19(11-17(16)28)23(4)10-7-18-22(2,3)8-6-9-25(18,14-26)20(23)12-21(24)29/h16-21,26,28-29H,6-14H2,1-5H3/t16-,17+,18?,19?,20?,21-,23+,24-,25-/m1/s1 |
| InChIKey | UNROCHKAAVDZAK-DJHGAQLLSA-N |
| Mol Weight | 406.6 g/mol |
| Molecular Formula | C25H42O4 |
| Exact Mass | 406.30831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 17LYOGA3Hc |
|---|---|
| Name | 12.beta.,16.beta.,22-Trihydroxy-24-methyl-24-oxo-nor-Scalarane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H42O4 |
| InChI | InChI=1S/C25H42O4/c1-15(27)16-13-24(5)19(11-17(16)28)23(4)10-7-18-22(2,3)8-6-9-25(18,14-26)20(23)12-21(24)29/h16-21,26,28-29H,6-14H2,1-5H3/t16-,17+,18?,19?,20?,21-,23+,24-,25-/m1/s1 |
| InChIKey | UNROCHKAAVDZAK-DJHGAQLLSA-N |
| Molecular Weight | 406.607 g/mol |
| SMILES | O[C@@]1([C@](C[C@@]2(C([C@]3(C(C[C@]2(O)[H])[C@]2(CCCC(C2CC3)(C)C)CO)C)C1)C)(C(=O)C)[H])[H] |
| SPLASH | splash10-0a4u-3009000000-b6c5504e51b9619f188d |
| Source of Spectrum | X2-54-370-4 |
| Wiley ID | 1603940 |