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HIKIZIMYCIN;ANTHELMYCIN
SpectraBase Compound ID AuEbjSiuRAS
InChI InChI=1S/C21H37N5O14/c22-7-1-2-26(21(37)25-7)19-16(36)12(32)9(24)17(39-19)18(15(35)14(34)10(30)5(29)3-27)40-20-13(33)8(23)11(31)6(4-28)38-20/h1-2,5-6,8-20,27-36H,3-4,23-24H2,(H2,22,25,37)/t5-,6+,8-,9-,10-,11+,12-,13+,14+,15+,16+,17-,18?,19+,20-/m0/s1
InChIKey VQQSDVBOXQHCHU-GDVFPTKWSA-N
Mol Weight 583.5 g/mol
Molecular Formula C21H37N5O14
Exact Mass 583.233701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AXHAKJuKxuS
Name HIKIZIMYCIN;ANTHELMYCIN
CAS Registry Number 12706-94-4
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H37N5O14
InChI InChI=1S/C21H37N5O14/c22-7-1-2-26(21(37)25-7)19-16(36)12(32)9(24)17(39-19)18(15(35)14(34)10(30)5(29)3-27)40-20-13(33)8(23)11(31)6(4-28)38-20/h1-2,5-6,8-20,27-36H,3-4,23-24H2,(H2,22,25,37)/t5-,6+,8-,9-,10-,11+,12-,13+,14+,15+,16+,17-,18?,19+,20-/m0/s1
InChIKey VQQSDVBOXQHCHU-GDVFPTKWSA-N
Literature Reference Author M.VUILHORGNE,S.ENNIFAR,B.C.DAS,J.W.PASCHAL,R.NAGARAJAN,E.W.H AGAMAN,E.WENKERT
Literature Reference Citation J.ORG.CHEM.,42,3289(1977)
Literature Reference DOI 10.1021/jo00440a019
Molecular Weight 583.550 g/mol
Solvent D2O;PH<1
Source File Reference UWCS13008