| SpectraBase Compound ID | 6O8FH7x473 |
|---|---|
| InChI | InChI=1S/C25H28O4/c1-15-9-12-19-18(13-15)22-20(29-25(19,2)3)14-17(21(23(22)26)24(27)28)11-10-16-7-5-4-6-8-16/h4-8,13-14,18-19,26H,9-12H2,1-3H3,(H,27,28) |
| InChIKey | OWFXHGABDKORFT-UHFFFAOYSA-N |
| Mol Weight | 392.5 g/mol |
| Molecular Formula | C25H28O4 |
| Exact Mass | 392.198759 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | D3yWD3RtpIT |
|---|---|
| Name | Perrottetinenic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H28O4 |
| InChI | InChI=1S/C25H28O4/c1-15-9-12-19-18(13-15)22-20(29-25(19,2)3)14-17(21(23(22)26)24(27)28)11-10-16-7-5-4-6-8-16/h4-8,13-14,18-19,26H,9-12H2,1-3H3,(H,27,28) |
| InChIKey | OWFXHGABDKORFT-UHFFFAOYSA-N |
| Molecular Weight | 392.495 g/mol |
| SMILES | OC(c1c(c2c(cc1CCc1ccccc1)OC(C1C2C=C(CC1)C)(C)C)O)=O |
| SPLASH | splash10-05ne-2149000000-b28854ed2f0a6155986a |
| Source of Spectrum | E2-50-1392-1 |
| Wiley ID | 1556029 |