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1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3R,4E,8E)-2-[(2'R)-2'-HYDROXYNONADECANOYLAMINO]-9-METHYL-4,8-OCTADECADIENE-1,3-DIOL-PERACETATE
SpectraBase Compound ID AT6I3gF5vFV
InChI InChI=1S/C56H95NO15/c1-10-12-14-16-18-19-20-21-22-23-24-25-27-29-33-38-50(68-44(6)60)55(64)57-48(49(67-43(5)59)37-34-30-32-36-41(3)35-31-28-26-17-15-13-11-2)39-66-56-54(71-47(9)63)53(70-46(8)62)52(69-45(7)61)51(72-56)40-65-42(4)58/h34,36-37,48-54,56H,10-33,35,38-40H2,1-9H3,(H,57,64)/b37-34+,41-36+/t48-,49-,50-,51-,52-,53+,54-,56-/m0/s1
InChIKey ZOUKASSYOYLASZ-YGXFDOBWSA-N
Mol Weight 1022.4 g/mol
Molecular Formula C56H95NO15
Exact Mass 1021.670171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JgbnRrAiIau
Name 1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3R,4E,8E)-2-[(2'R)-2'-HYDROXYNONADECANOYLAMINO]-9-METHYL-4,8-OCTADECADIENE-1,3-DIOL-PERACETATE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H95NO15
InChI InChI=1S/C56H95NO15/c1-10-12-14-16-18-19-20-21-22-23-24-25-27-29-33-38-50(68-44(6)60)55(64)57-48(49(67-43(5)59)37-34-30-32-36-41(3)35-31-28-26-17-15-13-11-2)39-66-56-54(71-47(9)63)53(70-46(8)62)52(69-45(7)61)51(72-56)40-65-42(4)58/h34,36-37,48-54,56H,10-33,35,38-40H2,1-9H3,(H,57,64)/b37-34+,41-36+/t48-,49-,50-,51-,52-,53+,54-,56-/m0/s1
InChIKey ZOUKASSYOYLASZ-YGXFDOBWSA-N
Literature Reference Author P.MURALIDHAR,M.M.KUMAR,N.KRISHNA,C.B.RAO,D.V.RAO
Literature Reference Citation CHEM.PHARM.BULL.,53,168(2005)
Literature Reference DOI 10.1248/cpb.53.168
Molecular Weight 1022.368 g/mol
Sample ID 54702
Solvent CDCl3