SpectraBase Spectrum ID |
8idR0301CP2 |
Name |
Rac-ethyl (2S,3S)-2-[(2R,4R)-2,4-bis(3-fluorophenyl)-5-isopropyl-4H-1,3-dioxin-6-yl]-3-(3-fluorophenyl)-3-hydroxypropanoate |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C30H29F3O5 |
InChI |
InChI=1S/C30H29F3O5/c1-4-36-29(35)25(26(34)18-8-5-11-21(31)14-18)28-24(17(2)3)27(19-9-6-12-22(32)15-19)37-30(38-28)20-10-7-13-23(33)16-20/h5-17,25-27,30,34H,4H2,1-3H3/t25-,26+,27+,30+/m0/s1 |
InChIKey |
LYYXFNNOFBEXIJ-LSMVNSQTSA-N |
Molecular Weight |
526.552 g/mol |
SMILES |
O[C@@]([C@@](C1=C([C@](O[C@](O1)(c1cc(ccc1)F)[H])(c1cccc(c1)F)[H])C(C)C)(C(OCC)=O)[H])(c1cccc(c1)F)[H] |
SPLASH |
splash10-08ou-1922100000-9462442a0657cd0b0a49 |
Source of Spectrum |
ASC-355-n/a/SM36-11g |
Synonyms |
(2S,3S)-ethyl 2-((2R,4R)-2,4-bis(3-fluorophenyl)-5-isopropyl-4H-1,3-dioxin-6-yl)-3-(3-fluorophenyl)-3-hydroxypropanoate |
Wiley ID |
1761907 |