John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=GuWBaTnanJv SpectraBase Spectrum ID=1Isehl8HGS7

(accessed ).
PITIPEPTOLIDE-A
SpectraBase Compound ID GuWBaTnanJv
InChI InChI=1S/C44H65N5O9/c1-11-14-16-23-33-44(8,9)43(56)47-35(27(4)5)40(53)48(10)32(25-30-20-17-15-18-21-30)42(55)58-37(29(7)13-3)41(54)49-24-19-22-31(49)38(51)46-36(28(6)12-2)39(52)45-26-34(50)57-33/h1,15,17-18,20-21,27-29,31-33,35-37H,12-14,16,19,22-26H2,2-10H3,(H,45,52)(H,46,51)(H,47,56)/t28-,29+,31+,32+,33+,35+,36+,37+/m1/s1
InChIKey MGUMDFGKOQUYTD-XGHAHIJKSA-N
Mol Weight 808.0 g/mol
Molecular Formula C44H65N5O9
Exact Mass 807.478229 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Isehl8HGS7
Name PITIPEPTOLIDE-A
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H65N5O9
InChI InChI=1S/C44H65N5O9/c1-11-14-16-23-33-44(8,9)43(56)47-35(27(4)5)40(53)48(10)32(25-30-20-17-15-18-21-30)42(55)58-37(29(7)13-3)41(54)49-24-19-22-31(49)38(51)46-36(28(6)12-2)39(52)45-26-34(50)57-33/h1,15,17-18,20-21,27-29,31-33,35-37H,12-14,16,19,22-26H2,2-10H3,(H,45,52)(H,46,51)(H,47,56)/t28-,29+,31+,32+,33+,35+,36+,37+/m1/s1
InChIKey MGUMDFGKOQUYTD-XGHAHIJKSA-N
Literature Reference Author H.LUESCH,R.PANGILINAN,W.Y.YOSHIDA,R.E.MOORE,V.J.PAUL
Literature Reference Citation J.NAT.PROD.,64,304(2001)
Literature Reference DOI 10.1021/np000456u
Molecular Weight 808.028 g/mol
Solvent CDCl3
SpectraBase Batch ID GXmPxBxNAEc