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BrASILINBACTIN_A;MAJOR_ISOMER
SpectraBase Compound ID T3OxXOCrLR
InChI InChI=1S/C42H67N5O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-26-37(31(2)38(50)43-33-23-19-21-28-47(55)41(33)52)57-42(53)34(24-18-20-27-46(54)30-48)44-39(51)35-29-56-40(45-35)32-22-16-17-25-36(32)49/h16-17,22,25,30-31,33-35,37,49,54-55H,3-15,18-21,23-24,26-29H2,1-2H3,(H,43,50)(H,44,51)/t31?,33-,34-,35-,37?/m0/s1
InChIKey ZNPSTDZGGZROAZ-WRUXVQBASA-N
Mol Weight 802.0 g/mol
Molecular Formula C42H67N5O10
Exact Mass 801.488793 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7NCIkD3HV1u
Name BrASILINBACTIN_A;MAJOR_ISOMER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H65N5O10
InChI InChI=1S/C42H67N5O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-26-37(31(2)38(50)43-33-23-19-21-28-47(55)41(33)52)57-42(53)34(24-18-20-27-46(54)30-48)44-39(51)35-29-56-40(45-35)32-22-16-17-25-36(32)49/h16-17,22,25,30-31,33-35,37,49,54-55H,3-15,18-21,23-24,26-29H2,1-2H3,(H,43,50)(H,44,51)/t31?,33-,34-,35-,37?/m0/s1
InChIKey ZNPSTDZGGZROAZ-WRUXVQBASA-N
Literature Reference Author M.TSUDA,M.YAMAKAWA,S.OKA,Y.TANAKA,Y.HOSHINO,Y.MIKAMI,A.SATO, H.FUJIWARA,Y.OHIZUMI
Literature Reference Citation J.NAT.PROD.,68,462(2005)
Literature Reference DOI 10.1021/np0496385
Molecular Weight 800.006 g/mol
Solvent DMSO-D6
Source File Reference UWMZ7633