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(1S,2R,5R)-5-methyl-2-(propan-2-yl)cyclohexyl (2R)-2-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]propanoate

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

(1S,2R,5R)-5-methyl-2-(propan-2-yl)cyclohexyl (2R)-2-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]propanoate
SpectraBase Compound ID EMTCG4034en
InChI InChI=1S/C25H42O8/c1-13(2)16-10-9-14(3)11-17(16)29-22(26)15(4)25(27)21-20(31-24(7,8)33-21)19(32-25)18-12-28-23(5,6)30-18/h13-21,27H,9-12H2,1-8H3/t14-,15+,16-,17+,18?,19?,20?,21?,25?/m1/s1
InChIKey MAPKLGAYTRDJNN-GLJYNNSNSA-N
Mol Weight 470.6 g/mol
Molecular Formula C25H42O8
Exact Mass 470.287968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5dSDollecCN
Name (1S,2R,5R)-5-Methyl-2-(propan-2-yl)cyclohexyl (2R)-2-[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-2,2-dimethyl-tetrahydro-2H-furo[3,4-D][1,3]dioxol-4-yl]propanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.287968304 u
Formula C25H42O8
InChI InChI=1S/C25H42O8/c1-13(2)16-10-9-14(3)11-17(16)29-22(26)15(4)25(27)21-20(31-24(7,8)33-21)19(32-25)18-12-28-23(5,6)30-18/h13-21,27H,9-12H2,1-8H3/t14-,15+,16-,17+,18?,19?,20?,21?,25?/m1/s1
InChIKey MAPKLGAYTRDJNN-GLJYNNSNSA-N
Molecular Weight 470.603 g/mol
SMILES C1(C2C(OC(O2)(C)C)C(O1)C1OC(C)(C)OC1)([C@](C(O[C@@]1([C@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O)(C)[H])O