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(3aS,8R,10E,11aS)-8-[(1R)-1-(methoxymethoxy)heptyl]-2,2-dimethyl-3a,4,5,8,9,11a-hexahydro-[1,3]dioxolo[4,5-e]oxecin-6-one

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

(3aS,8R,10E,11aS)-8-[(1R)-1-(methoxymethoxy)heptyl]-2,2-dimethyl-3a,4,5,8,9,11a-hexahydro-[1,3]dioxolo[4,5-e]oxecin-6-one
SpectraBase Compound ID IxABYxmB2Tn
InChI InChI=1S/C21H36O6/c1-5-6-7-8-10-16(24-15-23-4)17-11-9-12-18-19(13-14-20(22)25-17)27-21(2,3)26-18/h9,12,16-19H,5-8,10-11,13-15H2,1-4H3/b12-9+/t16-,17-,18+,19+/m1/s1
InChIKey PZJVRLXYVZDJOX-HQHGMLQKSA-N
Mol Weight 384.5 g/mol
Molecular Formula C21H36O6
Exact Mass 384.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 21pNXQyKoF
Name (3as,8R,10E,11As)-8-[(1R)-1-(methoxymethoxy)heptyl]-2,2-dimethyl-3A,4,5,8,9,11A-hexahydro-[1,3]dioxolo[4,5-E]oxecin-6-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.251188873 u
Formula C21H36O6
InChI InChI=1S/C21H36O6/c1-5-6-7-8-10-16(24-15-23-4)17-11-9-12-18-19(13-14-20(22)25-17)27-21(2,3)26-18/h9,12,16-19H,5-8,10-11,13-15H2,1-4H3/b12-9+/t16-,17-,18+,19+/m1/s1
InChIKey PZJVRLXYVZDJOX-HQHGMLQKSA-N
Molecular Weight 384.513 g/mol
SMILES C1(O[C@]2(\C=C\C[C@]([C@](OCOC)(CCCCCC)[H])(OC(CC[C@@]2(O1)[H])=O)[H])[H])(C)C