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(3R,4S,6R)-2-((6,10-dimethyl-8-oxo-2-(prop-1-en-2-yl)spiro[4.5]dec-9-en-7-yl)oxy)-6-((2,2,2-trifluoroacetoxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2,2-trifluoroacetate)

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(3R,4S,6R)-2-((6,10-dimethyl-8-oxo-2-(prop-1-en-2-yl)spiro[4.5]dec-9-en-7-yl)oxy)-6-((2,2,2-trifluoroacetoxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2,2-trifluoroacetate)
SpectraBase Compound ID UK625eib89
InChI InChI=1S/C29H28F12O11/c1-10(2)13-5-6-25(8-13)11(3)7-14(42)16(12(25)4)49-20-19(52-24(46)29(39,40)41)18(51-23(45)28(36,37)38)17(50-22(44)27(33,34)35)15(48-20)9-47-21(43)26(30,31)32/h7,12-13,15-20H,1,5-6,8-9H2,2-4H3
InChIKey QCTRMGLTTKTGCD-UHFFFAOYSA-N
Mol Weight 780.51 g/mol
Molecular Formula C29H28F12O11
Exact Mass 780.144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CqWAZD6vzpE
Name (3R,4S,6R)-2-((6,10-Dimethyl-8-oxo-2-(prop-1-en-2-yl)spiro[4.5]dec-9-en-7-yl)oxy)-6-((2,2,2-trifluoroacetoxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2,2-trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 780.143999667 u
Formula C29H28F12O11
InChI InChI=1S/C29H28F12O11/c1-10(2)13-5-6-25(8-13)11(3)7-14(42)16(12(25)4)49-20-19(52-24(46)29(39,40)41)18(51-23(45)28(36,37)38)17(50-22(44)27(33,34)35)15(48-20)9-47-21(43)26(30,31)32/h7,12-13,15-20H,1,5-6,8-9H2,2-4H3
InChIKey QCTRMGLTTKTGCD-UHFFFAOYSA-N
Molecular Weight 780.513 g/mol
SMILES C1(C(C(C(C(O1)OC1C(C2(C(=CC1=O)C)CC(C(=C)C)CC2)C)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)COC(C(F)(F)F)=O