| SpectraBase Compound ID | B0dRAnxAmlA |
|---|---|
| InChI | InChI=1S/C25H38O7/c1-5-16(2)22(29)32-15-25-19(7-6-9-24(25,30)14-26)23(4,17(3)11-20(25)27)10-8-18-12-21(28)31-13-18/h5,12,17,19-20,26-27,30H,6-11,13-15H2,1-4H3/b16-5+/t17-,19+,20+,23+,24+,25+/m1/s1 |
| InChIKey | MIOANCGOVTTWSH-MUOCYJMYSA-N |
| Mol Weight | 450.6 g/mol |
| Molecular Formula | C25H38O7 |
| Exact Mass | 450.261754 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4ILuwU0EMbw |
|---|---|
| Name | Ajugacumbin F |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O7 |
| InChI | InChI=1S/C25H38O7/c1-5-16(2)22(29)32-15-25-19(7-6-9-24(25,30)14-26)23(4,17(3)11-20(25)27)10-8-18-12-21(28)31-13-18/h5,12,17,19-20,26-27,30H,6-11,13-15H2,1-4H3/b16-5+/t17-,19+,20+,23+,24+,25+/m1/s1 |
| InChIKey | MIOANCGOVTTWSH-MUOCYJMYSA-N |
| Molecular Weight | 450.572 g/mol |
| SMILES | O[C@]1(C[C@]([C@@]([C@]2([C@@]1([C@@](CO)(CCC2)O)COC(\C(=C\C)C)=O)[H])(CCC1=CC(=O)OC1)C)(C)[H])[H] |
| SPLASH | splash10-001i-9100000000-5e73796359354073a376 |
| Source of Spectrum | E1-38-3168-2 |
| Wiley ID | 1518510 |