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1',2'-DIDEHYDROSTEMOFOLINE-N-OXIDE

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1',2'-DIDEHYDROSTEMOFOLINE-N-OXIDE
SpectraBase Compound ID 9U2jmBR01v
InChI InChI=1S/C22H27NO6/c1-5-6-8-21-14-7-9-23(21,25)13-10-15(21)28-22(14)16(13)11(2)18(29-22)19-17(26-4)12(3)20(24)27-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13-,14-,15-,16+,21+,22+,23-/m1/s1
InChIKey VWQGQBAVFGGKLV-RZUSGMEVSA-N
Mol Weight 401.46 g/mol
Molecular Formula C22H27NO6
Exact Mass 401.183838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5u8lCf0AVKT
Name 1',2'-DIDEHYDROSTEMOFOLINE-N-OXIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27NO6
InChI InChI=1S/C22H27NO6/c1-5-6-8-21-14-7-9-23(21,25)13-10-15(21)28-22(14)16(13)11(2)18(29-22)19-17(26-4)12(3)20(24)27-19/h6,8,11,13-16H,5,7,9-10H2,1-4H3/b8-6+,19-18-/t11-,13-,14-,15-,16+,21+,22+,23-/m1/s1
InChIKey VWQGQBAVFGGKLV-RZUSGMEVSA-N
Literature Reference Author T.SASTRARUJI,A.JATISATIENR,S.G.PYNE,A.T.UNG,W.LIE,M.C.WILLIA MS
Literature Reference Citation J.NAT.PROD.,68,1763(2005)
Literature Reference DOI 10.1021/np050361y
Molecular Weight 401.459 g/mol
Solvent CDCl3
Source File Reference UWMZ12324