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2,3-Di-O-(3R,7R,11R,15S,18S,22R,26R,30R)-biphytanyl-sn-diglycerol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zL8q5X38SB
Name (7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-38-methylol-1,4,37,40-tetraoxacyclodoheptacont-2-yl)methanol
Alternate Name(s) [38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacont-2-yl]methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 1302.316 g/mol
SMILES OCC1COCCC(CCCC(CCCC(CCCC(CCC(CCCC(CCCC(CCCC(CCOC(CO)COCCC(CCCC(CCCC(CCCC(CCC(CCCC(CCCC(CCCC(CCO1)C)C)C)C)C)C)C)C)C)C)C)C)C)C)C)C
SPLASH splash10-0udi-0095007000-339c936cd0330c091934
Source of Spectrum J-63-4745-2
Wiley ID 1418785