| SpectraBase Compound ID | JjnouBLxZHy |
|---|---|
| InChI | InChI=1S/C21H28O8/c1-6-12(2)17(22)27-15-10-20(4,24)21(25)8-7-19(3,29-21)9-14-16(15)13(11-26-5)18(23)28-14/h6,9,15,24-25H,7-8,10-11H2,1-5H3/b12-6-,14-9+/t15-,19+,20?,21-/m0/s1 |
| InChIKey | KQQVPPZTGZRRJD-URFVWCBGSA-N |
| Mol Weight | 408.45 g/mol |
| Molecular Formula | C21H28O8 |
| Exact Mass | 408.178418 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 | 4HpvpdNGDsS |
|---|---|
| Name | Spicatolide E |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28O8 |
| InChI | InChI=1S/C21H28O8/c1-6-12(2)17(22)27-15-10-20(4,24)21(25)8-7-19(3,29-21)9-14-16(15)13(11-26-5)18(23)28-14/h6,9,15,24-25H,7-8,10-11H2,1-5H3/b12-6-,14-9+/t15-,19+,20?,21-/m0/s1 |
| InChIKey | KQQVPPZTGZRRJD-URFVWCBGSA-N |
| Molecular Weight | 408.447 g/mol |
| SMILES | OC1([C@]2(O[C@@](\C=C/3OC(C(=C3[C@](C1)(OC(\C(=C/C)C)=O)[H])COC)=O)(CC2)C)O)C |
| SPLASH | splash10-002r-0792100000-f4c8ddbaf5e434702c60 |
| Source of Spectrum | G4-70-1764-2 |
| Wiley ID | 1694792 |