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(2S,3R)-sitophilate
SpectraBase Compound ID Gj3e5vIDCH6
InChI InChI=1S/C11H22O3/c1-5-9(6-2)14-11(13)8(4)10(12)7-3/h8-10,12H,5-7H2,1-4H3/t8-,10+/m0/s1
InChIKey JZOCRUBSQNZLIW-WCBMZHEXSA-N
Mol Weight 202.29 g/mol
Molecular Formula C11H22O3
Exact Mass 202.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECc9gJxU8YU
Name (2S,3R)-sitophilate
CAS Registry Number 122798-54-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O3
InChI InChI=1S/C11H22O3/c1-5-9(6-2)14-11(13)8(4)10(12)7-3/h8-10,12H,5-7H2,1-4H3/t8-,10+/m0/s1
InChIKey JZOCRUBSQNZLIW-WCBMZHEXSA-N
Molecular Weight 202.294 g/mol
SMILES O[C@@]([C@@](C(OC(CC)CC)=O)(C)[H])(CC)[H]
SPLASH splash10-0g4i-5900000000-4f3e2fd7c15cfcf85b3f
Source of Spectrum KC-57-6908-1
Synonyms (2S,3R)-3-hydroxy-2-methyl-valeric acid 1-ethylpropyl ester (1'-Ethylpopyl) (2R,3R)-3-hydroxy-2-methylpentanoate 1-Ethylpropyl (2SR,5RS)-2-methyl-3-hydroxypentanoate[(+-)-sitofilate] (2S,3R)-3-hydroxy-2-methylpentanoic acid pentan-3-yl ester 1-Ethylpropyl (2S,3R)-3-hydroxy-2-methyl-pentanoate Pentan-3-yl (2S,3R)-3-hydroxy-2-methylpentanoate Pentan-3-yl (2S,3R)-2-methyl-3-oxidanyl-pentanoate
Wiley ID 1625338