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(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-((4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)butan-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate

View entire compound with spectra: 1 NMR

(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-((4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)butan-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
SpectraBase Compound ID IEkfZNjrUvU
InChI InChI=1S/C27H40O11/c1-14-11-20(32)12-27(7,8)21(14)10-9-15(2)34-26-25(37-19(6)31)24(36-18(5)30)23(35-17(4)29)22(38-26)13-33-16(3)28/h11,15,21-26H,9-10,12-13H2,1-8H3/t15?,21?,22-,23-,24+,25-,26-/m1/s1
InChIKey QYAGHOTUCSKXOA-IUEYKMQNSA-N
Mol Weight 540.6 g/mol
Molecular Formula C27H40O11
Exact Mass 540.257062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFqb336sU6O
Name (2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-((4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)butan-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 540.257062097 u
Formula C27H40O11
InChI InChI=1S/C27H40O11/c1-14-11-20(32)12-27(7,8)21(14)10-9-15(2)34-26-25(37-19(6)31)24(36-18(5)30)23(35-17(4)29)22(38-26)13-33-16(3)28/h11,15,21-26H,9-10,12-13H2,1-8H3/t15?,21?,22-,23-,24+,25-,26-/m1/s1
InChIKey QYAGHOTUCSKXOA-IUEYKMQNSA-N
Molecular Weight 540.606 g/mol
SMILES C1C(C=C(C(C1(C)C)CCC(C)O[C@]1([C@@]([C@]([C@@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])C)=O