![Ajugacumbin B [4,17-epoxy-6.alpha.-hydroxy18-tigloyloxy-neocleroda-13-en-15,16-olide]](/api/spectrum/FUl2EaJnWhs/structure.png?h=300&w=458 "Ajugacumbin B [4,17-epoxy-6.alpha.-hydroxy18-tigloyloxy-neocleroda-13-en-15,16-olide]")
| SpectraBase Compound ID | 3lyrZpT0yYv |
|---|---|
| InChI | InChI=1S/C25H36O6/c1-5-16(2)22(28)30-15-25-19(7-6-9-24(25)14-31-24)23(4,17(3)11-20(25)26)10-8-18-12-21(27)29-13-18/h5,12,17,19-20,26H,6-11,13-15H2,1-4H3/b16-5+/t17-,19?,20+,23+,24?,25+/m1/s1 |
| InChIKey | OPIBUIPAAPHGEN-YMNLQBOSSA-N |
| Mol Weight | 432.6 g/mol |
| Molecular Formula | C25H36O6 |
| Exact Mass | 432.251189 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FUl2EaJnWhs |
|---|---|
| Name | Ajugacumbin B [4,17-epoxy-6.alpha.-hydroxy18-tigloyloxy-neocleroda-13-en-15,16-olide] |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H36O6 |
| InChI | InChI=1S/C25H36O6/c1-5-16(2)22(28)30-15-25-19(7-6-9-24(25)14-31-24)23(4,17(3)11-20(25)26)10-8-18-12-21(27)29-13-18/h5,12,17,19-20,26H,6-11,13-15H2,1-4H3/b16-5+/t17-,19?,20+,23+,24?,25+/m1/s1 |
| InChIKey | OPIBUIPAAPHGEN-YMNLQBOSSA-N |
| Molecular Weight | 432.557 g/mol |
| SMILES | O[C@@]1([C@]2(C3(OC3)CCCC2[C@](CCC2=CC(=O)OC2)(C)[C@@](C1)(C)[H])COC(\C(=C\C)C)=O)[H] |
| SPLASH | splash10-053r-9301000000-7a98fb321dee0625290f |
| Source of Spectrum | E1-37-2508-2 |
| Wiley ID | 1517983 |