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(3R,4R,5S)-3-Butyl-4-isovaleryloxy-5-methyltetrahydrofuran-2-one [(+)-Blastmycinone]

View entire compound with spectra: 3 MS (GC)

(3R,4R,5S)-3-Butyl-4-isovaleryloxy-5-methyltetrahydrofuran-2-one [(+)-Blastmycinone]
SpectraBase Compound ID ApdkIRvAD5Q
InChI InChI=1S/C14H24O4/c1-5-6-7-11-13(10(4)17-14(11)16)18-12(15)8-9(2)3/h9-11,13H,5-8H2,1-4H3/t10-,11+,13-/m0/s1
InChIKey PCOOFQWEKVUBNN-LOWVWBTDSA-N
Mol Weight 256.34 g/mol
Molecular Formula C14H24O4
Exact Mass 256.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgiX95mYmdW
Name (2S,3R,4R)-4-Butyl-2-methyl-5-oxotetrahydrofuran-3-yl 3-methylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-5-6-7-11-13(10(4)17-14(11)16)18-12(15)8-9(2)3/h9-11,13H,5-8H2,1-4H3/t10-,11+,13-/m0/s1
InChIKey PCOOFQWEKVUBNN-LOWVWBTDSA-N
Literature Reference DOI 10.1002/cbic.201200260
Molecular Weight 256.342 g/mol
SMILES C1(O[C@]([C@@]([C@]1(CCCC)[H])(OC(CC(C)C)=O)[H])(C)[H])=O
SPLASH splash10-052s-9100000000-2c1293955f62187c5011
Source of Spectrum CBC-13-1635/SM33-32
Wiley ID 1786748