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

*Links on SpectraBase are not permalinks.

(1S,4as,6S,7R,7as)-4-(((3-methylpentanoyl)oxy)methyl)-4A,5,6,7A-tetrahydro-1H-spiro[cyclopenta[C]pyran-7,2'-oxirane]-1,6-diyl diacetate

View entire compound with spectra: 1 NMR

(1S,4as,6S,7R,7as)-4-(((3-methylpentanoyl)oxy)methyl)-4A,5,6,7A-tetrahydro-1H-spiro[cyclopenta[C]pyran-7,2'-oxirane]-1,6-diyl diacetate
SpectraBase Compound ID 43raFlnsXgA
InChI InChI=1S/C20H28O8/c1-5-11(2)6-17(23)24-8-14-9-25-19(28-13(4)22)18-15(14)7-16(27-12(3)21)20(18)10-26-20/h9,11,15-16,18-19H,5-8,10H2,1-4H3
InChIKey ANZZPHSYKTXPKN-UHFFFAOYSA-N
Mol Weight 396.44 g/mol
Molecular Formula C20H28O8
Exact Mass 396.178418 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 8qWK1u5TGXe
Name (1S,4as,6S,7R,7as)-4-(((3-methylpentanoyl)oxy)methyl)-4A,5,6,7A-tetrahydro-1H-spiro[cyclopenta[C]pyran-7,2'-oxirane]-1,6-diyl diacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.178417854 u
Formula C20H28O8
InChI InChI=1S/C20H28O8/c1-5-11(2)6-17(23)24-8-14-9-25-19(28-13(4)22)18-15(14)7-16(27-12(3)21)20(18)10-26-20/h9,11,15-16,18-19H,5-8,10H2,1-4H3
InChIKey ANZZPHSYKTXPKN-UHFFFAOYSA-N
Molecular Weight 396.436 g/mol
SMILES C1(C2C(C(=CO1)COC(CC(CC)C)=O)CC(C21OC1)OC(C)=O)OC(C)=O