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Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-(hydroxymethyl)-1-methoxy-, methyl ester, (1.alpha.,4a.alpha.,6.alpha.,7a.alpha.)-(.+-.)-

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Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-(hydroxymethyl)-1-methoxy-, methyl ester, (1.alpha.,4a.alpha.,6.alpha.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID 720Kjeu21FG
InChI InChI=1S/C12H18O6/c1-16-11(15)8-5-18-12(17-2)10-6(8)3-9(14)7(10)4-13/h5-7,9-10,12-14H,3-4H2,1-2H3/t6-,7?,9+,10+,12-/m0/s1
InChIKey DUXADQCLAVDREH-XUPDGNGRSA-N
Mol Weight 258.27 g/mol
Molecular Formula C12H18O6
Exact Mass 258.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IHYRwcYHTT
Name Cyclopenta[C]pyran-4-carboxylic acid, 1,4A,5,6,7,7A-hexahydro-6-hydroxy-7-(hydroxymethyl)-1-methoxy-, methyl ester, (1.alpha.,4A.alpha.,6.alpha.,7A.alpha.)-(.+-.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.110338294 u
Formula C12H18O6
InChI InChI=1S/C12H18O6/c1-16-11(15)8-5-18-12(17-2)10-6(8)3-9(14)7(10)4-13/h5-7,9-10,12-14H,3-4H2,1-2H3/t6-,7?,9+,10+,12-/m0/s1
InChIKey DUXADQCLAVDREH-XUPDGNGRSA-N
Molecular Weight 258.270 g/mol
SMILES C=1([C@]2([C@@](C(CO)[C@@](C2)(O)[H])([H])[C@](OC1)(OC)[H])[H])C(=O)OC