SpectraBase Spectrum ID |
IX9Tp36eyxL |
Name |
(S)-MTPA-(R)-39 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C31H36F3NO3 |
InChI |
InChI=1S/C31H36F3NO3/c1-20(2)22-15-25-26(38-28(36)30(37-4,31(32,33)34)23-13-9-6-10-14-23)17-24-19-35(27(16-22)29(24,25)3)18-21-11-7-5-8-12-21/h5-14,22,24-27H,1,15-19H2,2-4H3/t22-,24+,25+,26+,27+,29-,30?/m0/s1 |
InChIKey |
LTDFIGKVBVWSQU-HRGSGUMLSA-N |
Molecular Weight |
527.628 g/mol |
SMILES |
[C@@]12([C@@]3(N(Cc4ccccc4)C[C@]1(C[C@]([C@]2(C[C@](C(=C)C)(C3)[H])[H])(OC(C(C(F)(F)F)(c1ccccc1)OC)=O)[H])[H])[H])C |
SPLASH |
splash10-0006-9220020000-f75c737876574add9e43 |
Source of Spectrum |
J-59-5642-39 |
Synonyms |
(2aS,4R,4aS,6S,7aR,7bS)-1-benzyl-6-isopropenyl-7b-methyldecahydro-1H-cyclopenta[cd]indol-4-yl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate |
Wiley ID |
1402971 |