John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=JEw71jR78Fc SpectraBase Spectrum ID=CbKHEpa9Q7Y

(accessed ).
PRENYLAGARAMIDE-B;CYClO-(PTYR-LEU-TYR-PRO-ILE-ASN-PRO)
SpectraBase Compound ID JEw71jR78Fc
InChI InChI=1S/C49H68N8O10/c1-7-30(6)42-47(64)54-38(27-41(50)59)49(66)56-21-8-10-39(56)45(62)52-36(25-32-14-18-34(19-15-32)67-23-20-28(2)3)44(61)51-35(24-29(4)5)43(60)53-37(26-31-12-16-33(58)17-13-31)48(65)57-22-9-11-40(57)46(63)55-42/h12-20,29-30,35-40,42,58H,7-11,21-27H2,1-6H3,(H2,50,59)(H,51,61)(H,52,62)(H,53,60)(H,54,64)(H,55,63)/t30?,35-,36+,37+,38+,39+,40+,42+/m1/s1
InChIKey FLMLQOUFYRJGJD-WPUKXEQYSA-N
Mol Weight 929.1 g/mol
Molecular Formula C49H68N8O10
Exact Mass 928.505841 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CbKHEpa9Q7Y
Name PRENYLAGARAMIDE-B;CYClO-(PTYR-LEU-TYR-PRO-ILE-ASN-PRO)
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H68N8O10
InChI InChI=1S/C49H68N8O10/c1-7-30(6)42-47(64)54-38(27-41(50)59)49(66)56-21-8-10-39(56)45(62)52-36(25-32-14-18-34(19-15-32)67-23-20-28(2)3)44(61)51-35(24-29(4)5)43(60)53-37(26-31-12-16-33(58)17-13-31)48(65)57-22-9-11-40(57)46(63)55-42/h12-20,29-30,35-40,42,58H,7-11,21-27H2,1-6H3,(H2,50,59)(H,51,61)(H,52,62)(H,53,60)(H,54,64)(H,55,63)/t30?,35-,36+,37+,38+,39+,40+,42+/m1/s1
InChIKey FLMLQOUFYRJGJD-WPUKXEQYSA-N
Literature Reference Author M.MURAKAMI,Y.ITOU,K.ISHIDA,H.J.SHIN
Literature Reference Citation J.NAT.PROD.,62,752(1999)
Literature Reference DOI 10.1021/np980396g
Molecular Weight 929.127 g/mol
Solvent DMSO-D6
Source File Reference UWCP7607
SpectraBase Batch ID 9UL6UDV2Cq2