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CHEVALIERIN_B;ISOMER-1
SpectraBase Compound ID BsaXX2cvZam
InChI InChI=1S/C39H68N8O9S/c1-11-22(6)30-37(53)42-26(16-18-57(10)56)34(50)40-20-29(48)44-32(24(8)13-3)39(55)47-17-14-15-28(47)36(52)46-31(23(7)12-2)38(54)43-27(19-21(4)5)35(51)41-25(9)33(49)45-30/h21-28,30-32H,11-20H2,1-10H3,(H,40,50)(H,41,51)(H,42,53)(H,43,54)(H,44,48)(H,45,49)(H,46,52)/t22?,23?,24?,25-,26-,27-,28+,30-,31-,32-,57?/m0/s1
InChIKey OZPBDDOTSWYOTG-PXHSVYTASA-N
Mol Weight 825.1 g/mol
Molecular Formula C39H68N8O9S
Exact Mass 824.482997 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ej0DxcjOHKe
Name CHEVALIERIN_B;ISOMER-1
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H68N8O9S
InChI InChI=1S/C39H68N8O9S/c1-11-22(6)30-37(53)42-26(16-18-57(10)56)34(50)40-20-29(48)44-32(24(8)13-3)39(55)47-17-14-15-28(47)36(52)46-31(23(7)12-2)38(54)43-27(19-21(4)5)35(51)41-25(9)33(49)45-30/h21-28,30-32H,11-20H2,1-10H3,(H,40,50)(H,41,51)(H,42,53)(H,43,54)(H,44,48)(H,45,49)(H,46,52)/t22?,23?,24?,25-,26-,27-,28+,30-,31-,32-,57?/m0/s1
InChIKey OZPBDDOTSWYOTG-PXHSVYTASA-N
Literature Reference Author C.BARAGUEY,C.AUVIN-GUETTE,A.BLOND,F.CAVELIER,F.LEZENVEN,J.L. POUSSET,B.BODO
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3033(1998)
Literature Reference DOI 10.1039/a804003f
Molecular Weight 825.077 g/mol
Solvent DMSO-D6
Source File Reference UWMZ6233