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PF-1022-A;CYCLO-(D-LACTYL-L-N-METHYLLEUCYL-D-3-PHENYLLACTYL-L-N-METHYLLEUCYL-D-LACTYL-L-N-METHYLLEUCYL-D-3-PHENYLLACTYL-L-N-METHYLLEUCYL)
SpectraBase Compound ID J6KV1efcbN3
InChI InChI=1S/C52H76N4O12/c1-31(2)25-39-49(61)65-35(9)45(57)53(11)42(28-34(7)8)52(64)68-44(30-38-23-19-16-20-24-38)48(60)56(14)40(26-32(3)4)50(62)66-36(10)46(58)54(12)41(27-33(5)6)51(63)67-43(47(59)55(39)13)29-37-21-17-15-18-22-37/h15-24,31-36,39-44H,25-30H2,1-14H3
InChIKey YJNUXGPXJFAUQJ-UHFFFAOYSA-N
Mol Weight 949.2 g/mol
Molecular Formula C52H76N4O12
Exact Mass 948.545974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2GEBCNCZMRZ
Name PF-1022-A;CYCLO-(D-LACTYL-L-N-METHYLLEUCYL-D-3-PHENYLLACTYL-L-N-METHYLLEUCYL-D-LACTYL-L-N-METHYLLEUCYL-D-3-PHENYLLACTYL-L-N-METHYLLEUCYL)
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H76N4O12
InChI InChI=1S/C52H76N4O12/c1-31(2)25-39-49(61)65-35(9)45(57)53(11)42(28-34(7)8)52(64)68-44(30-38-23-19-16-20-24-38)48(60)56(14)40(26-32(3)4)50(62)66-36(10)46(58)54(12)41(27-33(5)6)51(63)67-43(47(59)55(39)13)29-37-21-17-15-18-22-37/h15-24,31-36,39-44H,25-30H2,1-14H3
InChIKey YJNUXGPXJFAUQJ-UHFFFAOYSA-N
Literature Reference Author T.SASAKI,M.TAKAGI,T.YAGUCHI,S.MIYADOH,T.OKADA,M.KOYAMA
Literature Reference Citation J.ANTIBIOTICS,45,692(1992)
Literature Reference DOI 10.7164/antibiotics.45.692
Molecular Weight 949.195 g/mol
Sample ID 45883
Solvent CD3OD