John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=IYRaosxqfv2 SpectraBase Spectrum ID=28Zl8WohrPZ

(accessed ).
PLANKTOCYCLIN;CYCLO-(PRO-GLY-LEU-VAL-MET-PHE-GLY-VAL);SYNTHETIC
SpectraBase Compound ID IYRaosxqfv2
InChI InChI=1S/C39H60N8O8S/c1-22(2)18-27-36(52)46-32(23(3)4)38(54)43-26(15-17-56-7)35(51)44-28(19-25-12-9-8-10-13-25)34(50)40-21-31(49)45-33(24(5)6)39(55)47-16-11-14-29(47)37(53)41-20-30(48)42-27/h8-10,12-13,22-24,26-29,32-33H,11,14-21H2,1-7H3,(H,40,50)(H,41,53)(H,42,48)(H,43,54)(H,44,51)(H,45,49)(H,46,52)/t26-,27-,28-,29+,32-,33-/m0/s1
InChIKey ZMRRRONVXWEVSB-IJSUORRQSA-N
Mol Weight 801.0 g/mol
Molecular Formula C39H60N8O8S
Exact Mass 800.425483 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28Zl8WohrPZ
Name PLANKTOCYCLIN;CYCLO-(PRO-GLY-LEU-VAL-MET-PHE-GLY-VAL);SYNTHETIC
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H60N8O8S
InChI InChI=1S/C39H60N8O8S/c1-22(2)18-27-36(52)46-32(23(3)4)38(54)43-26(15-17-56-7)35(51)44-28(19-25-12-9-8-10-13-25)34(50)40-21-31(49)45-33(24(5)6)39(55)47-16-11-14-29(47)37(53)41-20-30(48)42-27/h8-10,12-13,22-24,26-29,32-33H,11,14-21H2,1-7H3,(H,40,50)(H,41,53)(H,42,48)(H,43,54)(H,44,51)(H,45,49)(H,46,52)/t26-,27-,28-,29+,32-,33-/m0/s1
InChIKey ZMRRRONVXWEVSB-IJSUORRQSA-N
Literature Reference Author H.I.BAUMANN,S.KELLER,F.E.WOLTER,G.J.NICHOLSON,G.JUNG,R.D.SUE SSMUTH,F.JUETTNER
Literature Reference Citation J.NAT.PROD.,70,1611(2007)
Literature Reference DOI 10.1021/np0700873
Molecular Weight 801.014 g/mol
Sample ID 31681
Solvent DMSO-D6
SpectraBase Batch ID AlAJmqdiVOk