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

*Links on SpectraBase are not permalinks.

(2R,3S,4as,8ar)-2-[(Methoxycarbonyl)methyl]octahydropyrano[3,2-B]pyran-3-yl benzoate

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

(2R,3S,4as,8ar)-2-[(Methoxycarbonyl)methyl]octahydropyrano[3,2-B]pyran-3-yl benzoate
SpectraBase Compound ID BbKe58UU3RR
InChI InChI=1S/C18H22O6/c1-21-17(19)11-16-15(10-14-13(23-16)8-5-9-22-14)24-18(20)12-6-3-2-4-7-12/h2-4,6-7,13-16H,5,8-11H2,1H3/t13-,14+,15+,16-/m1/s1
InChIKey YHMJSZRBMJKPKY-FXUDXRNXSA-N
Mol Weight 334.37 g/mol
Molecular Formula C18H22O6
Exact Mass 334.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID 7zoHRhdTZVK
Name (2R,3S,4as,8ar)-2-[(Methoxycarbonyl)methyl]octahydropyrano[3,2-B]pyran-3-yl benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.141638422 u
Formula C18H22O6
InChI InChI=1S/C18H22O6/c1-21-17(19)11-16-15(10-14-13(23-16)8-5-9-22-14)24-18(20)12-6-3-2-4-7-12/h2-4,6-7,13-16H,5,8-11H2,1H3/t13-,14+,15+,16-/m1/s1
InChIKey YHMJSZRBMJKPKY-FXUDXRNXSA-N
Molecular Weight 334.368 g/mol
SMILES [C@]1(O[C@]2([C@](C[C@@]1(OC(=O)C1=CC=CC=C1)[H])(OCCC2)[H])[H])(CC(=O)OC)[H]