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Ethyl (1RS,2SR,3SR,4RS,5SR)-3-(benzyloxy)-2,4-dihydroxy-2-(3'-furyl)-5-methylcyclohexane-1-carboxylate
SpectraBase Compound ID 6dWtHKrfQhM
InChI InChI=1S/C21H26O6/c1-3-26-20(23)17-11-14(2)18(22)19(21(17,24)16-9-10-25-13-16)27-12-15-7-5-4-6-8-15/h4-10,13-14,17-19,22,24H,3,11-12H2,1-2H3/t14-,17-,18+,19-,21+/m0/s1
InChIKey PQHQYRNNILKGQJ-SZCFVHRKSA-N
Mol Weight 374.43 g/mol
Molecular Formula C21H26O6
Exact Mass 374.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3FuiQcPmJX
Name Ethyl (1RS,2SR,3SR,4RS,5SR)-3-(benzyloxy)-2,4-dihydroxy-2-(3'-furyl)-5-methylcyclohexane-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O6
InChI InChI=1S/C21H26O6/c1-3-26-20(23)17-11-14(2)18(22)19(21(17,24)16-9-10-25-13-16)27-12-15-7-5-4-6-8-15/h4-10,13-14,17-19,22,24H,3,11-12H2,1-2H3/t14-,17-,18+,19-,21+/m0/s1
InChIKey PQHQYRNNILKGQJ-SZCFVHRKSA-N
Molecular Weight 374.433 g/mol
SMILES O[C@@]1([C@](C[C@]([C@@]([C@]1(OCc1ccccc1)[H])(c1cocc1)O)(C(=O)OCC)[H])(C)[H])[H]
SPLASH splash10-0fdo-9450000000-bb8e8f1216d37dcd76b7
Source of Spectrum F5-3-3643-10
Synonyms (1R,2S,3S,4R,5S)-ethyl 3-(benzyloxy)-2-(furan-3-yl)-2,4-dihydroxy-5-methylcyclohexanecarboxylate (1R,2S,3S,4R,5S)-2-(3-furanyl)-2,4-dihydroxy-5-methyl-3-phenylmethoxy-1-cyclohexanecarboxylic acid ethyl ester Ethyl (1R,2S,3S,4R,5S)-2-(furan-3-yl)-2,4-dihydroxy-5-methyl-3-phenylmethoxycyclohexane-1-carboxylate Ethyl (1R,2S,3S,4R,5S)-3-benzyloxy-2-(3-furyl)-2,4-dihydroxy-5-methyl-cyclohexanecarboxylate Ethyl (1R,2S,3S,4R,5S)-2-(furan-3-yl)-5-methyl-2,4-bis(oxidanyl)-3-phenylmethoxy-cyclohexane-1-carboxylate
Wiley ID 1732536