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Ethyl (2R,3R,5S,8S,9S)-3,8,9-trihydroxy-2,5-dimethyltetradec-12-ynoate
SpectraBase Compound ID 1UfRT6D37Jb
InChI InChI=1S/C18H32O5/c1-5-7-8-9-15(19)16(20)11-10-13(3)12-17(21)14(4)18(22)23-6-2/h13-17,19-21H,6,8-12H2,1-4H3/t13-,14+,15-,16-,17+/m0/s1
InChIKey WXOFPYZDCQWQSZ-BQJWPVKWSA-N
Mol Weight 328.4 g/mol
Molecular Formula C18H32O5
Exact Mass 328.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ujn2s4ECpg
Name Ethyl (2R,3R,5S,8S,9S)-3,8,9-trihydroxy-2,5-dimethyltetradec-12-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O5
InChI InChI=1S/C18H32O5/c1-5-7-8-9-15(19)16(20)11-10-13(3)12-17(21)14(4)18(22)23-6-2/h13-17,19-21H,6,8-12H2,1-4H3/t13-,14+,15-,16-,17+/m0/s1
InChIKey WXOFPYZDCQWQSZ-BQJWPVKWSA-N
Literature Reference DOI 10.1002/anie.201106117
Molecular Weight 328.449 g/mol
SMILES O[C@]([C@](CC[C@](C)(C[C@@](O)([C@@](C)(C(OCC)=O)[H])[H])[H])(O)[H])(CCC#CC)[H]
SPLASH splash10-03di-5950000000-8d870097386763aacb67
Source of Spectrum ACI-50-SMS14-S7
Wiley ID 1780166