SpectraBase Compound ID | E18rCoD2c8e |
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InChI | InChI=1S/C24H31FO4/c1-14-8-9-20-16(3)21(12-15(2)17-6-5-7-18(25)13-17)26-22-24(20)19(14)10-11-23(4,27-22)28-29-24/h5-7,13-14,16,19-22H,2,8-12H2,1,3-4H3/t14-,16-,19+,20+,21-,22-,23-,24-/m1/s1 |
InChIKey | CGDIORTVOFXVNN-UBCXGJNISA-N |
Mol Weight | 402.51 g/mol |
Molecular Formula | C24H31FO4 |
Exact Mass | 402.220638 g/mol |
SpectraBase Spectrum ID | HKm6AP3xstm |
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Name | 10.beta.-[2-(3-Fluorophenyl)allyl]deoxoartemisinin |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C24H31FO4 |
InChI | InChI=1S/C24H31FO4/c1-14-8-9-20-16(3)21(12-15(2)17-6-5-7-18(25)13-17)26-22-24(20)19(14)10-11-23(4,27-22)28-29-24/h5-7,13-14,16,19-22H,2,8-12H2,1,3-4H3/t14-,16-,19+,20+,21-,22-,23-,24-/m1/s1 |
InChIKey | CGDIORTVOFXVNN-UBCXGJNISA-N |
Molecular Weight | 402.506 g/mol |
SMILES | [C@]123[C@]4(O[C@@](OO3)(C)CC[C@]1([C@@](CC[C@]2([C@]([C@@](CC(c1cc(F)ccc1)=C)(O4)[H])(C)[H])[H])(C)[H])[H])[H] |
SPLASH | splash10-06r6-8900000000-a750b808c43b9036fb7e |
Source of Spectrum | K-2001-2688-11 |
Wiley ID | 1579895 |