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3,5-BIS-DODECYLOXYBENZOIC-ACID-PE-[G1]-ACETONIDE
SpectraBase Compound ID FYxu7Ez92UD
InChI InChI=1S/C83H140O16/c1-11-15-19-23-27-31-35-39-43-47-51-88-71-55-69(56-72(59-71)89-52-48-44-40-36-32-28-24-20-16-12-2)75(84)92-65-83(67-94-77(86)81(9)61-96-79(5,6)97-62-81,68-95-78(87)82(10)63-98-80(7,8)99-64-82)66-93-76(85)70-57-73(90-53-49-45-41-37-33-29-25-21-17-13-3)60-74(58-70)91-54-50-46-42-38-34-30-26-22-18-14-4/h55-60H,11-54,61-68H2,1-10H3
InChIKey YKDOINKACYKSCU-UHFFFAOYSA-N
Mol Weight 1394.0 g/mol
Molecular Formula C83H140O16
Exact Mass 1393.014138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A2zJKa56deI
Name 3,5-BIS-DODECYLOXYBENZOIC-ACID-PE-[G1]-ACETONIDE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C83H140O16
InChI InChI=1S/C83H140O16/c1-11-15-19-23-27-31-35-39-43-47-51-88-71-55-69(56-72(59-71)89-52-48-44-40-36-32-28-24-20-16-12-2)75(84)92-65-83(67-94-77(86)81(9)61-96-79(5,6)97-62-81,68-95-78(87)82(10)63-98-80(7,8)99-64-82)66-93-76(85)70-57-73(90-53-49-45-41-37-33-29-25-21-17-13-3)60-74(58-70)91-54-50-46-42-38-34-30-26-22-18-14-4/h55-60H,11-54,61-68H2,1-10H3
InChIKey YKDOINKACYKSCU-UHFFFAOYSA-N
Literature Reference Author J.ROPPONEN,S.NUMMELIN,K.RISSANEN
Literature Reference Citation ORG.LETTERS,6,2495(2004)
Literature Reference DOI 10.1021/ol049555f
Molecular Weight 1394.015 g/mol
Sample ID 38916
Solvent CDCl3