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[(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[2-oxo-5-propan-2-yl-4-(trifluoromethyl)pyrimidin-1-yl]oxolan-2-yl]methyl benzoate
SpectraBase Compound ID LMHF3Gc904l
InChI InChI=1S/C34H29F3N2O8/c1-20(2)24-18-39(33(43)38-28(24)34(35,36)37)29-27(47-32(42)23-16-10-5-11-17-23)26(46-31(41)22-14-8-4-9-15-22)25(45-29)19-44-30(40)21-12-6-3-7-13-21/h3-18,20,25-27,29H,19H2,1-2H3/t25-,26-,27-,29-/m1/s1
InChIKey JTYKOJXVJNABGL-LTGLEFCMSA-N
Mol Weight 650.6 g/mol
Molecular Formula C34H29F3N2O8
Exact Mass 650.1876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1v8SEa1vFe4
Name [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[2-oxo-5-propan-2-yl-4-(trifluoromethyl)pyrimidin-1-yl]oxolan-2-yl]methyl benzoate
Alternate Name(s) [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[5-isopropyl-2-oxo-4-(trifluoromethyl)pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl benzoate [(2R,3R,4R,5R)-5-[2-oxidanylidene-5-propan-2-yl-4-(trifluoromethyl)pyrimidin-1-yl]-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate benzoic acid [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[2-oxo-5-propan-2-yl-4-(trifluoromethyl)-1-pyrimidinyl]-2-oxolanyl]methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H29F3N2O8
InChI InChI=1S/C34H29F3N2O8/c1-20(2)24-18-39(33(43)38-28(24)34(35,36)37)29-27(47-32(42)23-16-10-5-11-17-23)26(46-31(41)22-14-8-4-9-15-22)25(45-29)19-44-30(40)21-12-6-3-7-13-21/h3-18,20,25-27,29H,19H2,1-2H3/t25-,26-,27-,29-/m1/s1
InChIKey JTYKOJXVJNABGL-LTGLEFCMSA-N
Molecular Weight 650.607 g/mol
SMILES [C@@]1(N2C(N=C(C(=C2)C(C)C)C(F)(F)F)=O)([C@@]([C@](OC(=O)c2ccccc2)([C@](O1)(COC(=O)c1ccccc1)[H])[H])(OC(=O)c1ccccc1)[H])[H]
SPLASH splash10-0a4i-0900301000-019a13488b45a48bbe1c
Source of Spectrum KC-57-7373-12
Wiley ID 1625444