For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Ethyl (2E,4S,5S,6E,8E)-2-Bromo-4,5-dihydroxy-4,5-O,O-isopropylidene-9-(methoxyarbonyl)-6-methylnona-2,6,8-trienoate
SpectraBase Compound ID 2lemnHPYGWP
InChI InChI=1S/C17H23BrO6/c1-6-22-16(20)12(18)10-13-15(24-17(3,4)23-13)11(2)8-7-9-14(19)21-5/h7-10,13,15H,6H2,1-5H3/b9-7+,11-8+,12-10+/t13-,15-/m0/s1
InChIKey KTGWGIZTTJYLPM-VMYNKOPCSA-N
Mol Weight 403.27 g/mol
Molecular Formula C17H23BrO6
Exact Mass 402.067801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GN6TBxHbnv1
Name Ethyl (2E,4S,5S,6E,8E)-2-Bromo-4,5-dihydroxy-4,5-O,O-isopropylidene-9-(methoxyarbonyl)-6-methylnona-2,6,8-trienoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23BrO6
InChI InChI=1S/C17H23BrO6/c1-6-22-16(20)12(18)10-13-15(24-17(3,4)23-13)11(2)8-7-9-14(19)21-5/h7-10,13,15H,6H2,1-5H3/b9-7+,11-8+,12-10+/t13-,15-/m0/s1
InChIKey KTGWGIZTTJYLPM-VMYNKOPCSA-N
Molecular Weight 403.269 g/mol
SMILES [C@]1(\C=C/(C(=O)OCC)Br)(OC(C)(C)O[C@]1(\C(=C\C=C\C(=O)OC)C)[H])[H]
SPLASH splash10-0006-0902000000-be7fdc61b01bedefb661
Source of Spectrum C5-2004-2149-40
Synonyms (2E,4E)-5-[(4S,5S)-5-[(E)-2-bromo-3-ethoxy-3-oxoprop-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-2,4-dienoic acid methyl ester methyl (2E,4E)-5-[(4S,5S)-5-[(E)-2-bromo-3-ethoxy-3-oxoprop-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-2,4-dienoate methyl (2E,4E)-5-[(4S,5S)-5-[(E)-2-bromo-3-ethoxy-3-oxo-prop-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-2,4-dienoate methyl (2E,4E)-5-[(4S,5S)-5-[(E)-2-bromanyl-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-2,4-dienoate
Wiley ID 1617288