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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3aY0vbZY7PK
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.)-(.+-.)-
Alternate Name(s) Methyl (1S,4aR,6R,7aR)-6-hydroxy-7-(hydroxymethyl)-1-methoxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Methyl ester of(+-)-6.alpha.-hydroxy-7.alpha.-hydroxymethyl-1.alpha.-methoxy-1,4aalpha,5,6,7,7a.alpha.-hexahydrocyclopenta(c)pyran-4-carboxylic acid
CAS Registry Number 61557-82-2
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/t6-,7?,9+,10+,12-/m0/s1
InChIKey DUXADQCLAVDREH-XUPDGNGRSA-N
Molecular Weight 258.270 g/mol
SMILES OCC1[C@@]2([C@](OC=C([C@@]2(C[C@]1(O)[H])[H])C(=O)OC)(OC)[H])[H]
SPLASH splash10-001i-9050000000-9ec00bf032b54d20f2b8
Source of Spectrum K-109-3637-0
Wiley ID 1261408