| SpectraBase Compound ID | 9aHeYCiPgwx |
|---|---|
| InChI | InChI=1S/C30H36O3/c1-15(2)20-9-8-17(5)28-23(20)11-19(7)29-24(28)14-30(32)25-13-26(31)18(6)10-22(25)21(16(3)4)12-27(30)33-29/h8-11,13,15-16,21,27,31-32H,12,14H2,1-7H3/t21-,27+,30+/m0/s1 |
| InChIKey | DDVIVMMKNAZNJE-FXBCZQQTSA-N |
| Mol Weight | 444.6 g/mol |
| Molecular Formula | C30H36O3 |
| Exact Mass | 444.266445 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5peD6wuQr8S |
|---|---|
| Name | Dicadalenol |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H36O3 |
| InChI | InChI=1S/C30H36O3/c1-15(2)20-9-8-17(5)28-23(20)11-19(7)29-24(28)14-30(32)25-13-26(31)18(6)10-22(25)21(16(3)4)12-27(30)33-29/h8-11,13,15-16,21,27,31-32H,12,14H2,1-7H3/t21-,27+,30+/m0/s1 |
| InChIKey | DDVIVMMKNAZNJE-FXBCZQQTSA-N |
| Molecular Weight | 444.615 g/mol |
| SMILES | Oc1c(cc2c([C@@]3(Cc4c(O[C@@]3(C[C@]2(C(C)C)[H])[H])c(cc2c4c(ccc2C(C)C)C)C)O)c1)C |
| SPLASH | splash10-004i-1820900000-378b1eba534996757095 |
| Source of Spectrum | G4-64-863-3 |
| Wiley ID | 1609073 |