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1,7-Dioxaspiro[5.5]undecane-2-butanol, 4-(acetyloxy)-8-[2-(acetyloxy)propyl]-.beta.-ethyl-3,9-dimethyl-, acetate, [2R-[2.alpha.(R*),3.alpha.,4.alpha.,6.beta.[8R*(S*),9R*]]]-
SpectraBase Compound ID FBkdyTGdf42
InChI InChI=1S/C26H44O8/c1-7-22(16-31-20(5)28)10-11-24-18(3)25(32-21(6)29)15-26(34-24)13-12-17(2)23(33-26)9-8-14-30-19(4)27/h17-18,22-25H,7-16H2,1-6H3
InChIKey DHJRSFZEHOTGHR-UHFFFAOYSA-N
Mol Weight 484.6 g/mol
Molecular Formula C26H44O8
Exact Mass 484.303618 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B7G5XOspVVx
Name 1,7-Dioxaspiro[5.5]undecane-2-butanol, 4-(acetyloxy)-8-[2-(acetyloxy)propyl]-.beta.-ethyl-3,9-dimethyl-, acetate, [2R-[2.alpha.(R*),3.alpha.,4.alpha.,6.beta.[8R*(S*),9R*]]]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.303618369 u
Formula C26H44O8
InChI InChI=1S/C26H44O8/c1-7-22(16-31-20(5)28)10-11-24-18(3)25(32-21(6)29)15-26(34-24)13-12-17(2)23(33-26)9-8-14-30-19(4)27/h17-18,22-25H,7-16H2,1-6H3
InChIKey DHJRSFZEHOTGHR-UHFFFAOYSA-N
Molecular Weight 484.630 g/mol
SMILES C12(OC(CCC(COC(=O)C)CC)C(C(C2)OC(=O)C)C)OC(CCCOC(=O)C)C(CC1)C