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

*Links on SpectraBase are not permalinks.

Cyclopenta[C]pyran-4-carboxylic acid, 1-(B-D-glucopyranosyloxy)-1,4A,5,6,7,7A-hexahydro-5,6-dihydroxy-7-(hydroxymethyl)-, methyl ester, (1S,4as,6R,7S,7as)-, 7me derivative

View entire compound with spectra: 1 NMR

Cyclopenta[C]pyran-4-carboxylic acid, 1-(B-D-glucopyranosyloxy)-1,4A,5,6,7,7A-hexahydro-5,6-dihydroxy-7-(hydroxymethyl)-, methyl ester, (1S,4as,6R,7S,7as)-, 7me derivative
SpectraBase Compound ID 4Z6IyZxqubK
InChI InChI=1S/C24H40O12/c1-26-9-12-16-15(19(30-5)17(12)28-3)13(22(25)33-8)10-34-23(16)36-24-21(32-7)20(31-6)18(29-4)14(35-24)11-27-2/h10,12,14-21,23-24H,9,11H2,1-8H3/t12-,14-,15-,16-,17-,18-,19?,20+,21-,23+,24+/m1/s1
InChIKey MOECIJDAQFGILS-QYUVSJLTSA-N
Mol Weight 520.6 g/mol
Molecular Formula C24H40O12
Exact Mass 520.251977 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 26EmJU40e5D
Name Cyclopenta[C]pyran-4-carboxylic acid, 1-(B-D-glucopyranosyloxy)-1,4A,5,6,7,7A-hexahydro-5,6-dihydroxy-7-(hydroxymethyl)-, methyl ester, (1S,4as,6R,7S,7as)-, 7me derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 520.251976716 u
Formula C24H40O12
InChI InChI=1S/C24H40O12/c1-26-9-12-16-15(19(30-5)17(12)28-3)13(22(25)33-8)10-34-23(16)36-24-21(32-7)20(31-6)18(29-4)14(35-24)11-27-2/h10,12,14-21,23-24H,9,11H2,1-8H3/t12-,14-,15-,16-,17-,18-,19?,20+,21-,23+,24+/m1/s1
InChIKey MOECIJDAQFGILS-QYUVSJLTSA-N
Molecular Weight 520.572 g/mol
SMILES [C@]1([C@]2([C@@](C(=CO1)C(=O)OC)(C([C@@]([C@@]2(COC)[H])(OC)[H])OC)[H])[H])(O[C@]1([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H])[H]