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(1S*,3R*,4S*,,5S*,7S*,8R*,9S*,10R*,12R*)-4,5,7-Trichloro-3-ethoxy-12-isopropyl-6,6-dimethoxy-9-methyl-2-oxatetracyclo[6.4.0.0(3,7).0(5,9)]dodecan-10-ol
SpectraBase Compound ID DdhXCrdtnyl
InChI InChI=1S/C19H29Cl3O5/c1-7-26-18-14(20)17(22)15(4)11(23)8-10(9(2)3)12(27-18)13(15)16(18,21)19(17,24-5)25-6/h9-14,23H,7-8H2,1-6H3/t10-,11-,12+,13-,14-,15-,16+,17+,18-/m1/s1
InChIKey VHCUODSICPIBFP-JGEPAZENSA-N
Mol Weight 443.8 g/mol
Molecular Formula C19H29Cl3O5
Exact Mass 442.108057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MTrEWR7oiR
Name (1S*,3R*,4S*,,5S*,7S*,8R*,9S*,10R*,12R*)-4,5,7-Trichloro-3-ethoxy-12-isopropyl-6,6-dimethoxy-9-methyl-2-oxatetracyclo[6.4.0.0(3,7).0(5,9)]dodecan-10-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29Cl3O5
InChI InChI=1S/C19H29Cl3O5/c1-7-26-18-14(20)17(22)15(4)11(23)8-10(9(2)3)12(27-18)13(15)16(18,21)19(17,24-5)25-6/h9-14,23H,7-8H2,1-6H3/t10-,11-,12+,13-,14-,15-,16+,17+,18-/m1/s1
InChIKey VHCUODSICPIBFP-JGEPAZENSA-N
Molecular Weight 443.795 g/mol
SMILES O[C@]1([C@@]2([C@@]3([C@@]4([C@@]([C@](Cl)([C@]2(C4(OC)OC)Cl)[H])(O[C@]3([C@](C1)(C(C)C)[H])[H])OCC)Cl)[H])C)[H]
SPLASH splash10-0a4l-3042900000-fff9c946d2e394c5a8d0
Source of Spectrum AH-125-1002-6
Synonyms (1R,2S,4R,5S,6R,8S,9R,11R,12S)-2,4,5-trichloro-6-ethoxy-9-isopropyl-3,3-dimethoxy-12-methyl-7-oxatetracyclo[6.4.0.0(2,6).0(4,12)]dodecan-11-ol
Wiley ID 1385202