| SpectraBase Compound ID | KQTuwcvcFFP |
|---|---|
| InChI | InChI=1S/C25H38O3/c1-22(2)10-6-11-23(3)17(22)9-12-24(4)18-8-7-15-16(14-28-21(15)27)25(18,5)20(26)13-19(23)24/h7,16-20,26H,6,8-14H2,1-5H3/t16-,17?,18?,19?,20?,23-,24-,25+/m0/s1 |
| InChIKey | XJAQPGLKAWWKLX-MGQZULCTSA-N |
| Mol Weight | 386.6 g/mol |
| Molecular Formula | C25H38O3 |
| Exact Mass | 386.282095 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5LSazuQmo41 |
|---|---|
| Name | 25-Dehydroxy-12-epi-deacetylscalarin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O3 |
| InChI | InChI=1S/C25H38O3/c1-22(2)10-6-11-23(3)17(22)9-12-24(4)18-8-7-15-16(14-28-21(15)27)25(18,5)20(26)13-19(23)24/h7,16-20,26H,6,8-14H2,1-5H3/t16-,17?,18?,19?,20?,23-,24-,25+/m0/s1 |
| InChIKey | XJAQPGLKAWWKLX-MGQZULCTSA-N |
| Molecular Weight | 386.576 g/mol |
| SMILES | OC1[C@]2(C([C@@]3(CCC4[C@@](C3C1)(CCCC4(C)C)C)C)CC=C1[C@@]2(COC1=O)[H])C |
| SPLASH | splash10-0006-0911000000-a1561c6893204916fd88 |
| Source of Spectrum | Y1-34-563-1 |
| Wiley ID | 1526492 |