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PIPERCEREBROSIDE-B;[2S,3S,4R,(11E)]-2-[[(2R)-2-HYDROXYLTETRACOSANOYL]-AMINO]-TRICOS-11-ENE-1,3,4-TRIOL
SpectraBase Compound ID CTxtQtfCKar
InChI InChI=1S/C47H93NO5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-41-45(51)47(53)48-43(42-49)46(52)44(50)40-38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h26,28,43-46,49-52H,3-25,27,29-42H2,1-2H3,(H,48,53)/b28-26+/t43-,44+,45+,46-/m0/s1
InChIKey MLOYXDBVYBDKED-SGLJMATDSA-N
Mol Weight 752.3 g/mol
Molecular Formula C47H93NO5
Exact Mass 751.705375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Da1iGwFbqk5
Name PIPERCEREBROSIDE-B;[2S,3S,4R,(11E)]-2-[[(2R)-2-HYDROXYLTETRACOSANOYL]-AMINO]-TRICOS-11-ENE-1,3,4-TRIOL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H93NO5
InChI InChI=1S/C47H93NO5/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-41-45(51)47(53)48-43(42-49)46(52)44(50)40-38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h26,28,43-46,49-52H,3-25,27,29-42H2,1-2H3,(H,48,53)/b28-26+/t43-,44+,45+,46-/m0/s1
InChIKey MLOYXDBVYBDKED-SGLJMATDSA-N
Literature Reference Author D.Z.CHEN,H.B.XIONG,K.TIAN,J.M.GUO,X.Z.HUANG,Z.Y.JIANG
Literature Reference Citation MOLECULES,18,11241(2013)
Literature Reference DOI 10.3390/molecules180911241
Molecular Weight 752.259 g/mol
Solvent C5D5N
Source File Reference UWIR9385