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12-BETA-[2-[(5-ACETAMINO-1,3,4-THIADIAZOL-2-YL)-THIO]-ETHOXY]-DIHYDROARTEMISININ
SpectraBase Compound ID DxLot1SIWIx
InChI InChI=1S/C21H31N3O6S2/c1-11-5-6-15-12(2)16(26-9-10-31-19-24-23-18(32-19)22-13(3)25)27-17-21(15)14(11)7-8-20(4,28-17)29-30-21/h11-12,14-17H,5-10H2,1-4H3,(H,22,23,25)/t11-,12-,14+,15+,16+,17-,20-,21-/m1/s1
InChIKey UKYDKBIBTLQALF-FBVCHWRASA-N
Mol Weight 485.61 g/mol
Molecular Formula C21H31N3O6S2
Exact Mass 485.165428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5IMgHpo4tpL
Name 12-BETA-[2-[(5-ACETAMINO-1,3,4-THIADIAZOL-2-YL)-THIO]-ETHOXY]-DIHYDROARTEMISININ
Compound Number 4J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31N3O6S2
InChI InChI=1S/C21H31N3O6S2/c1-11-5-6-15-12(2)16(26-9-10-31-19-24-23-18(32-19)22-13(3)25)27-17-21(15)14(11)7-8-20(4,28-17)29-30-21/h11-12,14-17H,5-10H2,1-4H3,(H,22,23,25)/t11-,12-,14+,15+,16+,17-,20-,21-/m1/s1
InChIKey UKYDKBIBTLQALF-FBVCHWRASA-N
Literature Reference Author C.WU,J.LIU,W.XIAN,B.LI,W.PENG,J.WANG,D.YANG,H.ZHOU
Literature Reference Citation MOLECULES,18,6866(2013)
Literature Reference DOI 10.3390/molecules18066866
Molecular Weight 485.614 g/mol
Solvent CDCl3
Source File Reference UWBT9423