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1-O-BETA-D-GLUCOPYRANOSYL-(2S,3R,4E,8Z)-2-[(2(R)-HYDROXYICOSANOYL)-AMIDO]-4,8-OCTADECADIENE-1,3-DIOL;CEREBROSIDE-1
SpectraBase Compound ID H00vqHLSNSS
InChI InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(48)43(52)45-36(35-53-44-42(51)41(50)40(49)39(34-46)54-44)37(47)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h22,24,30,32,36-42,44,46-51H,3-21,23,25-29,31,33-35H2,1-2H3,(H,45,52)/b24-22-,32-30+/t36-,37+,38?,39-,40-,41+,42-,44-/m1/s1
InChIKey DCBUKXJYPRDHOR-QPJHPZQASA-N
Mol Weight 770.1 g/mol
Molecular Formula C44H83NO9
Exact Mass 769.606783 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DYEh72bQTZG
Name 1-O-BETA-D-GLUCOPYRANOSYL-(2S,3R,4E,8Z)-2-[(2(R)-HYDROXYICOSANOYL)-AMIDO]-4,8-OCTADECADIENE-1,3-DIOL;CEREBROSIDE-1
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H83NO9
InChI InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(48)43(52)45-36(35-53-44-42(51)41(50)40(49)39(34-46)54-44)37(47)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h22,24,30,32,36-42,44,46-51H,3-21,23,25-29,31,33-35H2,1-2H3,(H,45,52)/b24-22-,32-30+/t36-,37+,38?,39-,40-,41+,42-,44-/m1/s1
InChIKey DCBUKXJYPRDHOR-QPJHPZQASA-N
Literature Reference Author J.H.JUNG,C.O.LEE,Y.C.KIM,S.S.KANG
Literature Reference Citation J.NAT.PROD.,59,319(1996)
Literature Reference DOI 10.1021/np960201+
Molecular Weight 770.144 g/mol
Solvent CD3OD
Source File Reference UWVP2377