| SpectraBase Compound ID | AJltnUpnapL |
|---|---|
| InChI | InChI=1S/C25H29F3O4/c1-17-8-7-9-18(16-29)14-20-15-23(20,2)21(13-12-17)32-22(30)24(31-3,25(26,27)28)19-10-5-4-6-11-19/h4-6,8,10-11,14,16,20-21H,7,9,12-13,15H2,1-3H3/b17-8+,18-14+/t20-,21-,23-,24-/m0/s1 |
| InChIKey | HQIBBFAPNIKIQN-CGTIQRLBSA-N |
| Mol Weight | 450.5 g/mol |
| Molecular Formula | C25H29F3O4 |
| Exact Mass | 450.201794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CKRUTMLUILF |
|---|---|
| Name | MADOLIN_W-(R)-MTPA-ESTER |
| Compound Number | 17B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H29F3O4 |
| InChI | InChI=1S/C25H29F3O4/c1-17-8-7-9-18(16-29)14-20-15-23(20,2)21(13-12-17)32-22(30)24(31-3,25(26,27)28)19-10-5-4-6-11-19/h4-6,8,10-11,14,16,20-21H,7,9,12-13,15H2,1-3H3/b17-8+,18-14+/t20-,21-,23-,24-/m0/s1 |
| InChIKey | HQIBBFAPNIKIQN-CGTIQRLBSA-N |
| Literature Reference Author | Z.B.CHENG,W.W.SHAO,Y.N.LIU,Q.LIAO,T.T.LIN,X.Y.SHEN,S.YIN |
| Literature Reference Citation | J.NAT.PROD.,76,664(2013) |
| Literature Reference DOI | 10.1021/np300887d |
| Molecular Weight | 450.498 g/mol |
| Sample ID | 42412 |
| Solvent | CDCl3 |