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(2S,3S,4R,11E)-2-[(2',3'-DIHYDROXYHEXA-COSANOYLAMINO]-11-OCTADECENE-1,3,4-TRIOL
SpectraBase Compound ID 66BnM5FvW32
InChI InChI=1S/C44H87NO6/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(48)43(50)44(51)45-39(38-46)42(49)40(47)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h14,16,39-43,46-50H,3-13,15,17-38H2,1-2H3,(H,45,51)/b16-14+/t39-,40+,41?,42-,43?/m0/s1
InChIKey OUVFMUMVGUPQJP-KYADSQKJSA-N
Mol Weight 726.2 g/mol
Molecular Formula C44H87NO6
Exact Mass 725.65334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4QTIFMY1CGb
Name (2S,3S,4R,11E)-2-[(2',3'-DIHYDROXYHEXA-COSANOYLAMINO]-11-OCTADECENE-1,3,4-TRIOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H87NO6
InChI InChI=1S/C44H87NO6/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(48)43(50)44(51)45-39(38-46)42(49)40(47)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h14,16,39-43,46-50H,3-13,15,17-38H2,1-2H3,(H,45,51)/b16-14+/t39-,40+,41?,42-,43?/m0/s1
InChIKey OUVFMUMVGUPQJP-KYADSQKJSA-N
Literature Reference Author M.D.J.DONGFACK,M.C.LALLEMAND,V.KUETE,C.D.MBAZOA,J.D.WANSI,H. T.V.DUFAT,S.MICHEL,J
Literature Reference Citation CHEM.PHARM.BULL.,60,1072(2012)
Literature Reference DOI 10.1248/cpb.c12-00279
Molecular Weight 726.178 g/mol
Source File Reference UWBT4495