John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=55UCvAoX02r SpectraBase Spectrum ID=2V2Hr9J2VzM

(accessed ).
16-DECHLORO-16-HYDROXYNAPYRADIOMYCIN_C2
SpectraBase Compound ID 55UCvAoX02r
InChI InChI=1S/C25H28Cl2O6/c1-12-5-6-16(28)13(2)9-14-17(29)10-15-19(20(14)30)22(32)24(27)11-18(26)23(3,4)33-25(24,8-7-12)21(15)31/h7,10,16,18,28-30H,2,5-6,8-9,11H2,1,3-4H3/b12-7+/t16?,18-,24+,25+/m1/s1
InChIKey UTXOFYRFSXYWKW-WLZKHMNMSA-N
Mol Weight 495.4 g/mol
Molecular Formula C25H28Cl2O6
Exact Mass 494.126294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2V2Hr9J2VzM
Name 16-DECHLORO-16-HYDROXYNAPYRADIOMYCIN_C2
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28Cl2O6
InChI InChI=1S/C25H28Cl2O6/c1-12-5-6-16(28)13(2)9-14-17(29)10-15-19(20(14)30)22(32)24(27)11-18(26)23(3,4)33-25(24,8-7-12)21(15)31/h7,10,16,18,28-30H,2,5-6,8-9,11H2,1,3-4H3/b12-7+/t16?,18-,24+,25+/m1/s1
InChIKey UTXOFYRFSXYWKW-WLZKHMNMSA-N
Literature Reference Author K.MOTOHASHI,M.SUE,K.FURIHATA,S.ITO,H.SETO
Literature Reference Citation J.NAT.PROD.,71,595(2008)
Literature Reference DOI 10.1021/np070575a
Molecular Weight 495.400 g/mol
Sample ID 27617
Solvent CDCl3
SpectraBase Batch ID 3wl3oxCHDUw