For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

[6-Acetyloxy-7-(chloromethyl)-7-hydroxy-1-(3-methylbutanoyloxy)-4A,5,6,7A-tetrahydro-1H-cyclopenta[C]pyran-4-yl]methyl 3-methylbutanoate, tms derivative

View entire compound with spectra: 1 NMR

[6-Acetyloxy-7-(chloromethyl)-7-hydroxy-1-(3-methylbutanoyloxy)-4A,5,6,7A-tetrahydro-1H-cyclopenta[C]pyran-4-yl]methyl 3-methylbutanoate, tms derivative
SpectraBase Compound ID 2hzLNRNc1wl
InChI InChI=1S/C25H41ClO8Si/c1-15(2)9-21(28)30-12-18-13-31-24(33-22(29)10-16(3)4)23-19(18)11-20(32-17(5)27)25(23,14-26)34-35(6,7)8/h13,15-16,19-20,23-24H,9-12,14H2,1-8H3
InChIKey NFHJWXOYZDKHNT-UHFFFAOYSA-N
Mol Weight 533.1 g/mol
Molecular Formula C25H41ClO8Si
Exact Mass 532.225923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 67dve6rAFgs
Name [6-Acetyloxy-7-(chloromethyl)-7-hydroxy-1-(3-methylbutanoyloxy)-4A,5,6,7A-tetrahydro-1H-cyclopenta[C]pyran-4-yl]methyl 3-methylbutanoate, tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 532.225922507 u
Formula C25H41ClO8Si
InChI InChI=1S/C25H41ClO8Si/c1-15(2)9-21(28)30-12-18-13-31-24(33-22(29)10-16(3)4)23-19(18)11-20(32-17(5)27)25(23,14-26)34-35(6,7)8/h13,15-16,19-20,23-24H,9-12,14H2,1-8H3
InChIKey NFHJWXOYZDKHNT-UHFFFAOYSA-N
Molecular Weight 533.133 g/mol
SMILES C(CC(C)C)(=O)OCC1=COC(C2C1CC(C2(CCl)O[Si](C)(C)C)OC(C)=O)OC(CC(C)C)=O