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YVTWMXKCUAEHMK-OGMJQBKISA-N

View entire compound with spectra: 1 NMR

YVTWMXKCUAEHMK-OGMJQBKISA-N
SpectraBase Compound ID 3HD39Eoxof4
InChI InChI=1S/C45H76O5/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-43(47)50-41-34-39(5)44(48)40(35-41)32-30-37(3)27-23-25-36(2)26-24-28-38(4)31-33-42(46)45(6,7)49/h25,28,30,34-35,42,46,48-49H,8-24,26-27,29,31-33H2,1-7H3/b36-25+,37-30+,38-28+/t42-/m0/s1
InChIKey YVTWMXKCUAEHMK-OGMJQBKISA-N
Mol Weight 697.1 g/mol
Molecular Formula C45H76O5
Exact Mass 696.569276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EvZB9BJAh3w
Name YVTWMXKCUAEHMK-OGMJQBKISA-N
Compound Number 3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H76O5
InChI InChI=1S/C45H76O5/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-43(47)50-41-34-39(5)44(48)40(35-41)32-30-37(3)27-23-25-36(2)26-24-28-38(4)31-33-42(46)45(6,7)49/h25,28,30,34-35,42,46,48-49H,8-24,26-27,29,31-33H2,1-7H3/b36-25+,37-30+,38-28+/t42-/m0/s1
InChIKey YVTWMXKCUAEHMK-OGMJQBKISA-N
Literature Reference Author J.MORI,M.IWASHIMA,H.WAKASUGI,H.SAITO,T.MATSUNAGA,M.OGASAWARA ,S.TAKAHASHI,H.SUZUK
Literature Reference Citation CHEM.PHARM.BULL.,53,1159(2005)
Literature Reference DOI 10.1248/cpb.53.1159
Molecular Weight 697.095 g/mol
Sample ID 54110
Solvent CDCl3