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ACO-L-HPLA(BN)-D-LEU-3A,7A-DIEPI-L-CHOI(OAC)-OME;TRANS-ROTAMER
SpectraBase Compound ID 5qPNRBgKiz2
InChI InChI=1S/C36H46N2O9/c1-22(2)17-30(35(42)38-31-20-29(46-23(3)39)16-13-27(31)19-32(38)36(43)44-5)37-34(41)33(47-24(4)40)18-25-11-14-28(15-12-25)45-21-26-9-7-6-8-10-26/h6-12,14-15,22,27,29-33H,13,16-21H2,1-5H3,(H,37,41)/t27-,29-,30+,31-,32+,33+/m1/s1
InChIKey PRQQFJNUHWCTMS-YTXFUCAWSA-N
Mol Weight 650.8 g/mol
Molecular Formula C36H46N2O9
Exact Mass 650.320331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HCBzfHxEOUk
Name ACO-L-HPLA(BN)-D-LEU-3A,7A-DIEPI-L-CHOI(OAC)-OME;TRANS-ROTAMER
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H46N2O9
InChI InChI=1S/C36H46N2O9/c1-22(2)17-30(35(42)38-31-20-29(46-23(3)39)16-13-27(31)19-32(38)36(43)44-5)37-34(41)33(47-24(4)40)18-25-11-14-28(15-12-25)45-21-26-9-7-6-8-10-26/h6-12,14-15,22,27,29-33H,13,16-21H2,1-5H3,(H,37,41)/t27-,29-,30+,31-,32+,33+/m1/s1
InChIKey PRQQFJNUHWCTMS-YTXFUCAWSA-N
Literature Reference Author N.VALLS,M.VALLRIBERA,S.CARMELI,J.BONJOCH
Literature Reference Citation ORG.LETTERS,5,447(2003)
Literature Reference DOI 10.1021/ol0273250
Molecular Weight 650.769 g/mol
Sample ID 49443
Solvent CDCl3