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5A-METHYLDIHYDROBICYCLOMYCIN;MAJOR-DIASTEREOMER
SpectraBase Compound ID 1BYx5pnKqDC
InChI InChI=1S/C13H22N2O7/c1-3-7-4-5-22-13(8(17)11(2,20)6-16)10(19)14-12(7,21)9(18)15-13/h7-8,16-17,20-21H,3-6H2,1-2H3,(H,14,19)(H,15,18)/t7-,8?,11?,12+,13-/m1/s1
InChIKey UHLYGPGVZGQBEE-FWYSQNTNSA-N
Mol Weight 318.33 g/mol
Molecular Formula C13H22N2O7
Exact Mass 318.142701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hs8X4WhlCEr
Name 5A-METHYLDIHYDROBICYCLOMYCIN;MINOR-DIASTEREOMER
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H22N2O7
InChI InChI=1S/C13H22N2O7/c1-3-7-4-5-22-13(8(17)11(2,20)6-16)10(19)14-12(7,21)9(18)15-13/h7-8,16-17,20-21H,3-6H2,1-2H3,(H,14,19)(H,15,18)/t7-,8?,11?,12+,13-/m1/s1
InChIKey UHLYGPGVZGQBEE-FWYSQNTNSA-N
Literature Reference Author F.VINCENT,J.SRINIVASAN,A.SANTILLAN,W.R.WIDGER,H.KOHN
Literature Reference Citation J.ORG.CHEM.,66,2251(2001)
Literature Reference DOI 10.1021/jo0013150
Molecular Weight 318.327 g/mol
Solvent CD3OD
Source File Reference UWLU26279