| SpectraBase Compound ID | GoMAMuN2vxB |
|---|---|
| InChI | InChI=1S/C25H40O2/c1-22(2)11-6-12-23(3)17(22)9-13-24(4)18-8-7-16-15-27-21(26)20(16)25(18,5)14-10-19(23)24/h7,17-21,26H,6,8-15H2,1-5H3/t17?,18?,19?,20-,21-,23+,24+,25+/m1/s1 |
| InChIKey | ZZRZTXFUKVHAHJ-CSRYLLOVSA-N |
| Mol Weight | 372.6 g/mol |
| Molecular Formula | C25H40O2 |
| Exact Mass | 372.302831 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IsvJOtRUVKE |
|---|---|
| Name | 12-(Deacetoxy)-deoxyscalarin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H40O2 |
| InChI | InChI=1S/C25H40O2/c1-22(2)11-6-12-23(3)17(22)9-13-24(4)18-8-7-16-15-27-21(26)20(16)25(18,5)14-10-19(23)24/h7,17-21,26H,6,8-15H2,1-5H3/t17?,18?,19?,20-,21-,23+,24+,25+/m1/s1 |
| InChIKey | ZZRZTXFUKVHAHJ-CSRYLLOVSA-N |
| Molecular Weight | 372.593 g/mol |
| SMILES | O[C@@]1(OCC=2[C@]1([C@@]1(C([C@@]3(CCC4[C@@](C3CC1)(CCCC4(C)C)C)C)CC2)C)[H])[H] |
| SPLASH | splash10-00dj-9101000000-06f1a2a2f732ac2bcc83 |
| Source of Spectrum | G4-62-1370-6 |
| Wiley ID | 1608053 |