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2,3-Di-O-(3R,7R,11R,15S,18S,22R,26R,30R)-biphytanyl-sn-diglycerol
SpectraBase Compound ID JWPdwXvXk0G
InChI InChI=1S/C86H172O6/c1-69-29-17-33-73(5)41-25-49-81(13)57-61-89-67-85(65-87)91-63-59-83(15)52-28-44-76(8)36-20-32-72(4)40-24-48-80(12)56-54-78(10)46-22-38-70(2)30-18-34-74(6)42-26-50-82(14)58-62-90-68-86(66-88)92-64-60-84(16)51-27-43-75(7)35-19-31-71(3)39-23-47-79(11)55-53-77(9)45-21-37-69/h69-88H,17-68H2,1-16H3
InChIKey VMHUDYKDOMRJOK-UHFFFAOYSA-N
Mol Weight 1302.3 g/mol
Molecular Formula C86H172O6
Exact Mass 1301.315393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANUhe4iuGLV
Name 2,3-Di-O-(3R,7R,11R,15S,18S,22R,26R,30R)-biphytanyl-sn-diglycerol
CAS Registry Number 99529-31-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C86H172O6
InChI InChI=1S/C86H172O6/c1-69-29-17-33-73(5)41-25-49-81(13)57-61-89-67-85(65-87)91-63-59-83(15)52-28-44-76(8)36-20-32-72(4)40-24-48-80(12)56-54-78(10)46-22-38-70(2)30-18-34-74(6)42-26-50-82(14)58-62-90-68-86(66-88)92-64-60-84(16)51-27-43-75(7)35-19-31-71(3)39-23-47-79(11)55-53-77(9)45-21-37-69/h69-88H,17-68H2,1-16H3
InChIKey VMHUDYKDOMRJOK-UHFFFAOYSA-N
Literature Reference C.D. Poulter, T. Aoki, L. Daniels, J. Am. Chem. Soc. 110, 2621 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3