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#22;PSEUDO-ANNONACIN-A;(1'''S,2'R,2''S,5S,5''S,8R,S,13'R)-5-METHYL-3-[2',8',13'-TRIHYDROXY-13'-[5''-(1''-HYDROXYTRIDECYL)-TETRAHYDROFURAN-2''-YL]-TRIDECYL]-5H-
SpectraBase Compound ID 3qof2xNxNoa
InChI InChI=1S/2C35H64O7/c2*1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h2*25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30+,31-,32+,33-,34-;27-,29-,30+,31-,32+,33-,34-/m00/s1
InChIKey BELBWLWJNVFFKC-DZFURDHYSA-N
Mol Weight 1193.8 g/mol
Molecular Formula C70H128O14
Exact Mass 1192.930409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNgGpXKQiLj
Name #22;PSEUDO-ANNONACIN-A;(1'''S,2'R,2''S,5S,5''S,8R,S,13'R)-5-METHYL-3-[2',8',13'-TRIHYDROXY-13'-[5''-(1''-HYDROXYTRIDECYL)-TETRAHYDROFURAN-2''-YL]-TRIDECYL]-5H-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C70H128O14
InChI InChI=1S/2C35H64O7/c2*1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h2*25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30+,31-,32+,33-,34-;27-,29-,30+,31-,32+,33-,34-/m00/s1
InChIKey BELBWLWJNVFFKC-DZFURDHYSA-N
Literature Reference Author S.HANESSIAN,T.A.GRILLO
Literature Reference Citation J.ORG.CHEM.,63,1049(1998)
Literature Reference DOI 10.1021/jo9713621
Molecular Weight 1193.778 g/mol
Sample ID 33464
Solvent CDCl3