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CHAMPACYCLIN
SpectraBase Compound ID H362CtwWfOS
InChI InChI=1S/C48H81N9O8/c1-12-28(7)37-45(62)50-32(11)41(58)54-38(29(8)13-2)46(63)51-34(23-19-20-24-49)42(59)55-40(31(10)15-4)48(65)57-39(30(9)14-3)47(64)53-36(26-33-21-17-16-18-22-33)43(60)52-35(25-27(5)6)44(61)56-37/h16-18,21-22,27-32,34-40H,12-15,19-20,23-26,49H2,1-11H3,(H,50,62)(H,51,63)(H,52,60)(H,53,64)(H,54,58)(H,55,59)(H,56,61)(H,57,65)/t28-,29-,30-,31-,32-,34-,35+,36-,37+,38+,39-,40-/m1/s1
InChIKey DOYCSKUONIMFLG-RQYQKZJXSA-N
Mol Weight 912.2 g/mol
Molecular Formula C48H81N9O8
Exact Mass 911.620811 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C6BLPmNwVv8
Name CHAMPACYCLIN
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H81N9O8
InChI InChI=1S/C48H81N9O8/c1-12-28(7)37-45(62)50-32(11)41(58)54-38(29(8)13-2)46(63)51-34(23-19-20-24-49)42(59)55-40(31(10)15-4)48(65)57-39(30(9)14-3)47(64)53-36(26-33-21-17-16-18-22-33)43(60)52-35(25-27(5)6)44(61)56-37/h16-18,21-22,27-32,34-40H,12-15,19-20,23-26,49H2,1-11H3,(H,50,62)(H,51,63)(H,52,60)(H,53,64)(H,54,58)(H,55,59)(H,56,61)(H,57,65)/t28-,29-,30-,31-,32-,34-,35+,36-,37+,38+,39-,40-/m1/s1
InChIKey DOYCSKUONIMFLG-RQYQKZJXSA-N
Literature Reference Author A.PESIC,H.I.BAUMANN,K.KLEINSCHMIDT,P.ENSLE,J.WIESE,R.D.SUSSM UTH,J.F.IMHOFF
Literature Reference Citation MAR.DRUGS,11,4834(2013)
Literature Reference DOI 10.3390/md11124834
Molecular Weight 912.227 g/mol
Source File Reference UWBT6648