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1-o-(2',3',4',5',-Tetraacetoxycyclopentyl)-2-o-acetyl-3-o-(10'-methylhexadecyl)glycerol
SpectraBase Compound ID 3yScchSzWMB
InChI InChI=1S/C35H60O12/c1-8-9-10-16-19-24(2)20-17-14-12-11-13-15-18-21-41-22-30(43-25(3)36)23-42-31-32(44-26(4)37)34(46-28(6)39)35(47-29(7)40)33(31)45-27(5)38/h24,30-35H,8-23H2,1-7H3
InChIKey LORDQADUCNCWHN-UHFFFAOYSA-N
Mol Weight 672.9 g/mol
Molecular Formula C35H60O12
Exact Mass 672.408477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DCIGyqG5T7U
Name 1-o-(2',3',4',5',-Tetraacetoxycyclopentyl)-2-o-acetyl-3-o-(10'-methylhexadecyl)glycerol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 672.408477360 u
Formula C35H60O12
InChI InChI=1S/C35H60O12/c1-8-9-10-16-19-24(2)20-17-14-12-11-13-15-18-21-41-22-30(43-25(3)36)23-42-31-32(44-26(4)37)34(46-28(6)39)35(47-29(7)40)33(31)45-27(5)38/h24,30-35H,8-23H2,1-7H3
InChIKey LORDQADUCNCWHN-UHFFFAOYSA-N
Molecular Weight 672.853 g/mol
SMILES C1(C(C(OC(=O)C)C(C1OC(=O)C)OCC(OC(=O)C)COCCCCCCCCCC(CCCCCC)C)OC(=O)C)OC(=O)C