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(2R,8R,9S)-2,9-Epoxy-2-pivaloylruban-3-one

View entire compound with spectra: 1 MS (GC)

(2R,8R,9S)-2,9-Epoxy-2-pivaloylruban-3-one
SpectraBase Compound ID GuUp8KaM4vb
InChI InChI=1S/C23H26N2O4/c1-22(2,3)21(27)23-20(26)13-8-10-25(23)18(11-13)19(29-23)15-7-9-24-17-6-5-14(28-4)12-16(15)17/h5-7,9,12-13,18-19H,8,10-11H2,1-4H3/t13-,18-,19-,23-/m0/s1
InChIKey LBAPHSYCVDHDHP-IWMLSVQMSA-N
Mol Weight 394.47 g/mol
Molecular Formula C23H26N2O4
Exact Mass 394.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3o4SaldJkjs
Name (2R,8R,9S)-2,9-Epoxy-2-pivaloylruban-3-one
Alternate Name(s) (2R,8R,9S)-2,9-Epoxy-2-pvaloylruban-3-one (3S,5S,6R)-3-(2,2-dimethylpropanoyl)-5-(6-methoxy-4-quinolinyl)-4-oxa-7-azatricyclo[4.3.1.0(3,7)]decan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O4
InChI InChI=1S/C23H26N2O4/c1-22(2,3)21(27)23-20(26)13-8-10-25(23)18(11-13)19(29-23)15-7-9-24-17-6-5-14(28-4)12-16(15)17/h5-7,9,12-13,18-19H,8,10-11H2,1-4H3/t13-,18-,19-,23-/m0/s1
InChIKey LBAPHSYCVDHDHP-IWMLSVQMSA-N
Molecular Weight 394.471 g/mol
SMILES [C@@]12(N3[C@]([H])([C@@](O2)(c2c4c(ccc(c4)OC)ncc2)[H])C[C@@](C1=O)(CC3)[H])C(C(C)(C)C)=O
SPLASH splash10-014i-0393000000-f49a5043d5c044e54885
Source of Spectrum KC-0-806-3
Wiley ID 824900