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1-Decanone, 1-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-, [4S-[4.alpha.(S*),5.alpha.[S*(S*)]]]-

View entire compound with spectra: 1 NMR, and 2 MS (GC)

1-Decanone, 1-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-, [4S-[4.alpha.(S*),5.alpha.[S*(S*)]]]-
SpectraBase Compound ID 7cL2kpn2EKp
InChI InChI=1S/C21H38O7/c1-6-7-8-9-10-11-12-14(22)16(23)18-19(28-21(4,5)27-18)17(24)15-13-25-20(2,3)26-15/h14-15,17-19,22,24H,6-13H2,1-5H3/t14?,15-,17?,18-,19-/m1/s1
InChIKey WGQPNWYUZSTULR-KYZWJYDRSA-N
Mol Weight 402.5 g/mol
Molecular Formula C21H38O7
Exact Mass 402.261754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4uNePwnMf2K
Name 1-Decanone, 1-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-, [4S-[4.alpha.(S*),5.alpha.[S*(S*)]]]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.261753557 u
Formula C21H38O7
InChI InChI=1S/C21H38O7/c1-6-7-8-9-10-11-12-14(22)16(23)18-19(28-21(4,5)27-18)17(24)15-13-25-20(2,3)26-15/h14-15,17-19,22,24H,6-13H2,1-5H3/t14?,15-,17?,18-,19-/m1/s1
InChIKey WGQPNWYUZSTULR-KYZWJYDRSA-N
Molecular Weight 402.528 g/mol
SMILES [C@@]1([C@](OC(O1)(C)C)(C([C@@]1(OC(C)(C)OC1)[H])O)[H])(C(=O)C(O)CCCCCCCC)[H]