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7-N-(1'-AMINO-4',5'-DITHIAN-2'-YL)-MITOMYCIN_C_C-(8)-CYCLIZED_IMINE;[(4A-R,9A-S,10A-S,10B-R)-10B-METHOXY-6-METHYL-7-OXO-1,4,4A,5,7,9,9A,10,10A,

View entire compound with spectra: 1 NMR

7-N-(1'-AMINO-4',5'-DITHIAN-2'-YL)-MITOMYCIN_C_C-(8)-CYCLIZED_IMINE;[(4A-R,9A-S,10A-S,10B-R)-10B-METHOXY-6-METHYL-7-OXO-1,4,4A,5,7,9,9A,10,10A,
SpectraBase Compound ID JLNBJPuleQ6
InChI InChI=1S/C19H23N5O4S2/c1-7-13-14(22-11-6-30-29-5-10(11)21-13)12-8(4-28-18(20)26)19(27-2)17-9(23-17)3-24(19)15(12)16(7)25/h8-11,17,21,23H,3-6H2,1-2H3,(H2,20,26)/t8-,9+,10+,11+,17+,19-/m1/s1
InChIKey RXFTUADIBYUHFL-VDAREFTKSA-N
Mol Weight 449.54 g/mol
Molecular Formula C19H23N5O4S2
Exact Mass 449.119147 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EYKaZJ1XhJv
Name 7-N-(1'-AMINO-4',5'-DITHIAN-2'-YL)-MITOMYCIN_C_C-(8)-CYCLIZED_IMINE;[(4A-R,9A-S,10A-S,10B-R)-10B-METHOXY-6-METHYL-7-OXO-1,4,4A,5,7,9,9A,10,10A,
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H23N5O4S2
InChI InChI=1S/C19H23N5O4S2/c1-7-13-14(22-11-6-30-29-5-10(11)21-13)12-8(4-28-18(20)26)19(27-2)17-9(23-17)3-24(19)15(12)16(7)25/h8-11,17,21,23H,3-6H2,1-2H3,(H2,20,26)/t8-,9+,10+,11+,17+,19-/m1/s1
InChIKey RXFTUADIBYUHFL-VDAREFTKSA-N
Literature Reference Author S.H.LEE,H.KOHN
Literature Reference Citation J.AM.CHEM.SOC.,126,4281(2004)
Literature Reference DOI 10.1021/ja030577r
Molecular Weight 449.543 g/mol
Solvent C5D5N
Source File Reference UWMZ24296