| SpectraBase Spectrum ID |
2zQAyf1g4K |
| Name |
(7S,8S)-8-Ethyl-3,4,8-trimethyl-4-oxo-2-oxabicyclo[4.4.0]octan-7-ol (S)-MTPA ester |
| Alternate Name(s) |
(7S,8S)-8-ethyl-2,3,8-trimethyl-4-oxo-5,6,7,8-tetrahydro-4H-chromen-7-yl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
8-Ethyl-3,4,8-trimethyl-4-oxo-2-oxabicyclo[4.4.0]octan-7-ol (S)-MTPA ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H27F3O5 |
| InChI |
InChI=1S/C24H27F3O5/c1-6-22(4)18(13-12-17-19(28)14(2)15(3)31-20(17)22)32-21(29)23(30-5,24(25,26)27)16-10-8-7-9-11-16/h7-11,18H,6,12-13H2,1-5H3/t18-,22-,23-/m0/s1 |
| InChIKey |
PQFWMVDNQJPNMF-TZYHBYERSA-N |
| Molecular Weight |
452.470 g/mol |
| SMILES |
C12=C(C(=O)C(=C(O2)C)C)CC[C@@]([C@@]1(CC)C)(OC([C@](C(F)(F)F)(c1ccccc1)OC)=O)[H] |
| SPLASH |
splash10-014r-0980200000-6a98cb307f18733137d2 |
| Source of Spectrum |
KC-0-1868-8 |
| Wiley ID |
781507 |
![(7S,8S)-8-Ethyl-3,4,8-trimethyl-4-oxo-2-oxabicyclo[4.4.0]octan-7-ol (S)-MTPA ester](/api/spectrum/2zQAyf1g4K/structure.png?h=300&w=458 "(7S,8S)-8-Ethyl-3,4,8-trimethyl-4-oxo-2-oxabicyclo[4.4.0]octan-7-ol (S)-MTPA ester")
