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BISNICALATERINE_A

View entire compound with spectra: 1 NMR

BISNICALATERINE_A
SpectraBase Compound ID Codkt5SIgMv
InChI InChI=1S/C42H50N4O5/c1-7-23-21-44(3)33-18-29-25-13-9-11-15-31(25)43-39(29)35(17-27(23)37(33)41(48)50-5)46-32-16-12-10-14-26(32)30-19-34-38(42(49)51-6)28(20-36(47)40(30)46)24(8-2)22-45(34)4/h7-16,27-28,33-38,43,47H,17-22H2,1-6H3/b23-7-,24-8-/t27-,28-,33-,34-,35+,36+,37-,38-/m0/s1
InChIKey TYYBJRHYBIULFL-CMKGPACJSA-N
Mol Weight 690.9 g/mol
Molecular Formula C42H50N4O5
Exact Mass 690.378121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4lcvrIy38QU
Name BISNICALATERINE_A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H50N4O5
InChI InChI=1S/C42H50N4O5/c1-7-23-21-44(3)33-18-29-25-13-9-11-15-31(25)43-39(29)35(17-27(23)37(33)41(48)50-5)46-32-16-12-10-14-26(32)30-19-34-38(42(49)51-6)28(20-36(47)40(30)46)24(8-2)22-45(34)4/h7-16,27-28,33-38,43,47H,17-22H2,1-6H3/b23-7-,24-8-/t27-,28-,33-,34-,35+,36+,37-,38-/m0/s1
InChIKey TYYBJRHYBIULFL-CMKGPACJSA-N
Literature Reference Author A.E.NUGROHO,Y.HIRASAWA,N.KAWAHARA,Y.GODA,K.AWANG,A.H.A.HADI, H.MORITA
Literature Reference Citation J.NAT.PROD.,72,1502(2009)
Literature Reference DOI 10.1021/np900115q
Molecular Weight 690.883 g/mol
Sample ID 33403
Solvent CD3OD