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Methyl ester of 1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-(hydroxymethyl)-1-methoxycyclopenta(c)pyran-4-carboxylic acid
SpectraBase Compound ID GDb2UKiluvv
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
InChIKey DUXADQCLAVDREH-UHFFFAOYSA-N
Mol Weight 258.27 g/mol
Molecular Formula C12H18O6
Exact Mass 258.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8WWIVq5WLtf
Name Methyl ester of 1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-(hydroxymethyl)-1-methoxycyclopenta(c)pyran-4-carboxylic acid
Alternate Name(s) Methyl 6-hydroxy-7-(hydroxymethyl)-1-methoxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
CAS Registry Number 74742-20-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
InChIKey DUXADQCLAVDREH-UHFFFAOYSA-N
Molecular Weight 258.270 g/mol
SMILES OCC1C2C(OC=C(C2CC1O)C(=O)OC)OC
SPLASH splash10-001i-9340000000-993d792b181cce45e73e
Source of Spectrum J-45-4236-0
Wiley ID 1261412