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7-N-(1'-AMINO-4',5'-DITHIAN-2'-YL)-PORFIROMYCIN_C-(8)-CYCLIZED_IMINE;[(4A-R,9A-S,10A-S,10B-R,11-S,12A-R)-10B-METHOXY-6,10-DIMETHYL-7-OXO-1,4,4A,5,

View entire compound with spectra: 1 NMR

7-N-(1'-AMINO-4',5'-DITHIAN-2'-YL)-PORFIROMYCIN_C-(8)-CYCLIZED_IMINE;[(4A-R,9A-S,10A-S,10B-R,11-S,12A-R)-10B-METHOXY-6,10-DIMETHYL-7-OXO-1,4,4A,5,
SpectraBase Compound ID 7BdfLPS0PkG
InChI InChI=1S/C20H25N5O4S2/c1-8-14-15(23-11-7-31-30-6-10(11)22-14)13-9(5-29-19(21)27)20(28-3)18-12(24(18)2)4-25(20)16(13)17(8)26/h9-12,18,22H,4-7H2,1-3H3,(H2,21,27)/t9-,10+,11+,12+,18+,20-,24?/m1/s1
InChIKey IMKVVNNSZRCBFQ-ODEQIZJESA-N
Mol Weight 463.57 g/mol
Molecular Formula C20H25N5O4S2
Exact Mass 463.134797 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7idqulp6dUO
Name 7-N-(1'-AMINO-4',5'-DITHIAN-2'-YL)-PORFIROMYCIN_C-(8)-CYCLIZED_IMINE;[(4A-R,9A-S,10A-S,10B-R,11-S,12A-R)-10B-METHOXY-6,10-DIMETHYL-7-OXO-1,4,4A,5,
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25N5O4S2
InChI InChI=1S/C20H25N5O4S2/c1-8-14-15(23-11-7-31-30-6-10(11)22-14)13-9(5-29-19(21)27)20(28-3)18-12(24(18)2)4-25(20)16(13)17(8)26/h9-12,18,22H,4-7H2,1-3H3,(H2,21,27)/t9-,10+,11+,12+,18+,20-,24?/m1/s1
InChIKey IMKVVNNSZRCBFQ-ODEQIZJESA-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 463.570 g/mol
Solvent C5D5N
Source File Reference UWMZ24295