| SpectraBase Compound ID | DZCds5g9RBY |
|---|---|
| InChI | InChI=1S/C20H24O4/c1-9-10-5-6-13-19(4)15-11(18(2,3)8-12(15)21)7-14(24-19)20(13,16(9)22)17(10)23/h10,13-14,17,23H,1,5-8H2,2-4H3/t10-,13+,14+,17-,19+,20+/m1/s1 |
| InChIKey | MJXXHOYVYOQSOU-RLJVZPCTSA-N |
| Mol Weight | 328.41 g/mol |
| Molecular Formula | C20H24O4 |
| Exact Mass | 328.167459 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5elAxwE3jdZ |
|---|---|
| Name | Crotonkinensin A |
| Appearance | Amorphous powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H24O4 |
| InChI | InChI=1S/C20H24O4/c1-9-10-5-6-13-19(4)15-11(18(2,3)8-12(15)21)7-14(24-19)20(13,16(9)22)17(10)23/h10,13-14,17,23H,1,5-8H2,2-4H3/t10-,13+,14+,17-,19+,20+/m1/s1 |
| InChIKey | MJXXHOYVYOQSOU-RLJVZPCTSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np900215r |
| Molecular Weight | 328.408 g/mol |
| Optical Rotation | [a]D25 = -134.3 (c = 0.20, MeOH) |
| Reported Formula | C20H24O4 |
| SMILES | O[C@@]1([C@@]2(CC[C@@]3([C@]1([C@@]1(CC4=C([C@]3(O1)C)C(CC4(C)C)=O)[H])C(C2=C)=O)[H])[H])[H] |
| SPLASH | splash10-004i-4779000000-ee3dd617289566695059 |
| Source of Spectrum | G4-72-2042-1 |
| Wiley ID | 1872076 |