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2H-Pyran-4-acetic acid, 3-formyl-3,4-dihydro-5-(methoxycarbonyl)-2-methyl-, methyl ester, [2R-(2.alpha.,3.beta.,4.alpha.)]-

View entire compound with spectra: 1 MS (GC)

2H-Pyran-4-acetic acid, 3-formyl-3,4-dihydro-5-(methoxycarbonyl)-2-methyl-, methyl ester, [2R-(2.alpha.,3.beta.,4.alpha.)]-
SpectraBase Compound ID F91yZ8Uiub8
InChI InChI=1S/C12H16O6/c1-7-9(5-13)8(4-11(14)16-2)10(6-18-7)12(15)17-3/h5-9H,4H2,1-3H3/t7-,8+,9-/m1/s1
InChIKey NTCBDZLDJOMIAC-HRDYMLBCSA-N
Mol Weight 256.25 g/mol
Molecular Formula C12H16O6
Exact Mass 256.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jbfCnpEmtW
Name 2H-Pyran-4-acetic acid, 3-formyl-3,4-dihydro-5-(methoxycarbonyl)-2-methyl-, methyl ester, [2R-(2.alpha.,3.beta.,4.alpha.)]-
CAS Registry Number 58865-08-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O6
InChI InChI=1S/C12H16O6/c1-7-9(5-13)8(4-11(14)16-2)10(6-18-7)12(15)17-3/h5-9H,4H2,1-3H3/t7-,8+,9-/m1/s1
InChIKey NTCBDZLDJOMIAC-HRDYMLBCSA-N
Molecular Weight 256.254 g/mol
SMILES C=1([C@]([C@](C=O)([C@](OC1)(C)[H])[H])(CC(=O)OC)[H])C(=O)OC
SPLASH splash10-0002-0920000000-cfa68d28b81d6d8f00a2
Source of Spectrum F-44-3206-12
Synonyms 6-Epielenolic acid methyl ester Methyl (2R,3S,4S)-3-formyl-4-(2-methoxy-2-oxoethyl)-2-methyl-3,4-dihydro-2H-pyran-5-carboxylate Methyl (6-methyl-5-formyl-3-methoxycarbonyl-1-oxacyclohex-2-en-4-yl)ethanoate
Wiley ID 1259414