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4',5'-DIHYDRO-4'-HYDROXYASCOCHLORIN

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4',5'-DIHYDRO-4'-HYDROXYASCOCHLORIN
SpectraBase Compound ID 9u5cILBXOKt
InChI InChI=1S/C23H31ClO5/c1-12(19(27)10-23(5)13(2)7-9-18(26)15(23)4)6-8-16-21(28)17(11-25)14(3)20(24)22(16)29/h6,11,13,15,19,27-29H,7-10H2,1-5H3/b12-6+/t13-,15+,19-,23-/m1/s1
InChIKey XFTFIFNAWKMLKL-MIIFNERISA-N
Mol Weight 422.95 g/mol
Molecular Formula C23H31ClO5
Exact Mass 422.186002 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9sjsPSM2Itg
Name 4',5'-DIHYDRO-4'-HYDROXYASCOCHLORIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31ClO5
InChI InChI=1S/C23H31ClO5/c1-12(19(27)10-23(5)13(2)7-9-18(26)15(23)4)6-8-16-21(28)17(11-25)14(3)20(24)22(16)29/h6,11,13,15,19,27-29H,7-10H2,1-5H3/b12-6+/t13-,15+,19-,23-/m1/s1
InChIKey XFTFIFNAWKMLKL-MIIFNERISA-N
Literature Reference Author P.SEEPHONKAI,M.ISAKA,P.KITTAKOOP,U.BOONUDOMLAP,Y.THEBTARANON TH
Literature Reference Citation J.ANTIBIOTICS,57,10(2004)
Literature Reference DOI 10.7164/antibiotics.57.10
Molecular Weight 422.949 g/mol
Sample ID 53470
Solvent CDCl3