![14-O-[(S)-2-METHOXY-2-PHENYL-2-(TRIFLUOROMETHYL)-ACETIC-ACID]-BALEARONE](/api/spectrum/5mzoSB08vea/structure.png?h=300&w=458 "14-O-[(S)-2-METHOXY-2-PHENYL-2-(TRIFLUOROMETHYL)-ACETIC-ACID]-BALEARONE")
| SpectraBase Compound ID | LUSLFVqr8UW |
|---|---|
| InChI | InChI=1S/C39H49F3O7/c1-24(16-17-26-22-28(45-7)21-25(2)31(26)46-8)20-29(43)32-35(5)18-13-19-36(35,6)37(32)23-30(34(3,4)49-37)48-33(44)38(47-9,39(40,41)42)27-14-11-10-12-15-27/h10-12,14-16,21-22,30,32H,13,17-20,23H2,1-9H3/b24-16+/t30-,32-,35-,36-,37+,38+/m0/s1 |
| InChIKey | VBXFATZDAYUQMP-GEHBJJDHSA-N |
| Mol Weight | 686.8 g/mol |
| Molecular Formula | C39H49F3O7 |
| Exact Mass | 686.343038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5mzoSB08vea |
|---|---|
| Name | 14-O-[(S)-2-METHOXY-2-PHENYL-2-(TRIFLUOROMETHYL)-ACETIC-ACID]-BALEARONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H49F3O7 |
| InChI | InChI=1S/C39H49F3O7/c1-24(16-17-26-22-28(45-7)21-25(2)31(26)46-8)20-29(43)32-35(5)18-13-19-36(35,6)37(32)23-30(34(3,4)49-37)48-33(44)38(47-9,39(40,41)42)27-14-11-10-12-15-27/h10-12,14-16,21-22,30,32H,13,17-20,23H2,1-9H3/b24-16+/t30-,32-,35-,36-,37+,38+/m0/s1 |
| InChIKey | VBXFATZDAYUQMP-GEHBJJDHSA-N |
| Literature Reference Author | V.AMICO,M.PIATTELLI,M.BIZZINI,P.NERI |
| Literature Reference Citation | J.NAT.PROD.,60,1088(1997) |
| Literature Reference DOI | 10.1021/np9700432 |
| Molecular Weight | 686.809 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ10782 |