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4(S),18-DICHLORO-4,18-DIDEOXYASIMILOBIN
SpectraBase Compound ID JGUgU3YVlqI
InChI InChI=1S/C35H60Cl2O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-31(37)32-23-24-34(41-32)33-22-21-30(40-33)19-16-14-15-18-29(36)26-28-25-27(2)39-35(28)38/h25,27,29-34H,3-24,26H2,1-2H3/t27-,29-,30+,31?,32?,33-,34?/m0/s1
InChIKey ROKGRZFPUBHZGI-UNVSCHGJSA-N
Mol Weight 615.8 g/mol
Molecular Formula C35H60Cl2O4
Exact Mass 614.386866 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AyVTXHueJV4
Name 4(S),18-DICHLORO-4,18-DIDEOXYASIMILOBIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H60Cl2O4
InChI InChI=1S/C35H60Cl2O4/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-31(37)32-23-24-34(41-32)33-22-21-30(40-33)19-16-14-15-18-29(36)26-28-25-27(2)39-35(28)38/h25,27,29-34H,3-24,26H2,1-2H3/t27-,29-,30+,31?,32?,33-,34?/m0/s1
InChIKey ROKGRZFPUBHZGI-UNVSCHGJSA-N
Literature Reference Author Q.YE,G.SHI,K.HE,J.L.MCLAUGHLIN
Literature Reference Citation J.NAT.PROD.,59,994(1996)
Literature Reference DOI 10.1021/np9605089
Molecular Weight 615.765 g/mol
Solvent Unknown
Source File Reference UWVP769