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4-DEHYDRO-4A-DECHLORO-NAPYRADIOMYCIN-A1
SpectraBase Compound ID 3oE5uB2mvqH
InChI InChI=1S/C25H29ClO5/c1-14(2)7-6-8-15(3)9-10-25-18(13-20(26)24(4,5)31-25)22(29)21-17(23(25)30)11-16(27)12-19(21)28/h7,9,11-13,20,27-28H,6,8,10H2,1-5H3/b15-9+/t20-,25-/m1/s1
InChIKey KHMPPAOMVRXPHR-DCRMPLLGSA-N
Mol Weight 444.96 g/mol
Molecular Formula C25H29ClO5
Exact Mass 444.170352 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPMvOewlC6o
Name 4-DEHYDRO-4A-DECHLORO-NAPYRADIOMYCIN-A1
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H29ClO5
InChI InChI=1S/C25H29ClO5/c1-14(2)7-6-8-15(3)9-10-25-18(13-20(26)24(4,5)31-25)22(29)21-17(23(25)30)11-16(27)12-19(21)28/h7,9,11-13,20,27-28H,6,8,10H2,1-5H3/b15-9+/t20-,25-/m1/s1
InChIKey KHMPPAOMVRXPHR-DCRMPLLGSA-N
Literature Reference Author Z.WU,S.LI,J.LI,Y.CHEN,K.SAURAV,Q.ZHANG,H.ZHANG,W.ZHANG,W.ZHA NG,S.ZHANG,C.ZHANG
Literature Reference Citation MAR.DRUGS,11,2113(2013)
Literature Reference DOI 10.3390/md11062113
Molecular Weight 444.955 g/mol
Source File Reference UWLU74872