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(4R,5S,6R)-Ethyl 4,5,6,7-tetrahydroxy-heptanoate
SpectraBase Compound ID 7nOJrgolLfD
InChI InChI=1S/C9H18O6/c1-2-15-8(13)4-3-6(11)9(14)7(12)5-10/h6-7,9-12,14H,2-5H2,1H3/t6-,7-,9+/m1/s1
InChIKey HDUBDTNBCSOFMT-BHNWBGBOSA-N
Mol Weight 222.24 g/mol
Molecular Formula C9H18O6
Exact Mass 222.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5n0UckbDuJw
Name (4R,5S,6R)-Ethyl 4,5,6,7-tetrahydroxy-heptanoate
Alternate Name(s) (4R,5S,6R)-4,5,6,7-tetrahydroxyheptanoic acid ethyl ester Ethyl (4R,5S,6R)-4,5,6,7-tetrahydroxyheptanoate Ethyl (4R,5S,6R)-4,5,6,7-tetrakis(oxidanyl)heptanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O6
InChI InChI=1S/C9H18O6/c1-2-15-8(13)4-3-6(11)9(14)7(12)5-10/h6-7,9-12,14H,2-5H2,1H3/t6-,7-,9+/m1/s1
InChIKey HDUBDTNBCSOFMT-BHNWBGBOSA-N
Molecular Weight 222.237 g/mol
SMILES O[C@@]([C@]([C@@](CCC(=O)OCC)(O)[H])(O)[H])(CO)[H]
SPLASH splash10-000j-9100000000-0020c7cfb3ee1a194a48
Source of Spectrum QC-20-80-3
Wiley ID 1688083