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13-N-DEMETHYL-METHYLPENDOLMYCIN
SpectraBase Compound ID 1bVlg4Q0JFi
InChI InChI=1S/C22H31N3O2/c1-6-13(3)19-21(27)24-15(12-26)10-14-11-23-20-16(22(4,5)7-2)8-9-17(25-19)18(14)20/h7-9,11,13,15,19,23,25-26H,2,6,10,12H2,1,3-5H3,(H,24,27)/t13-,15-,19-/m0/s1
InChIKey RNSOUHHDODDYEH-RFUYNDQBSA-N
Mol Weight 369.51 g/mol
Molecular Formula C22H31N3O2
Exact Mass 369.241627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A1GyU8kMFnA
Name 13-N-DEMETHYL-METHYLPENDOLMYCIN
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31N3O2
InChI InChI=1S/C22H31N3O2/c1-6-13(3)19-21(27)24-15(12-26)10-14-11-23-20-16(22(4,5)7-2)8-9-17(25-19)18(14)20/h7-9,11,13,15,19,23,25-26H,2,6,10,12H2,1,3-5H3,(H,24,27)/t13-,15-,19-/m0/s1
InChIKey RNSOUHHDODDYEH-RFUYNDQBSA-N
Literature Reference Author H.HUANG,Y.YAO,Z.HE,T.YANG,J.MA,X.TIAN,Y.LI,C.HUANG,X.CHEN,W. LI,S.ZHANG,C.ZHANG,J
Literature Reference Citation J.NAT.PROD.,74,2122(2011)
Literature Reference DOI 10.1021/np200399t
Molecular Weight 369.507 g/mol
Sample ID 39359
Solvent CD3OD