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D-galacto-Oct-2-enitol, 1-chloro-1,2,3-trideoxy-2-methyl-4,6-di-O-methyl-7,8-O-(1-methylethylidene)-5-O-(phenylmethyl)-, (2E)-
SpectraBase Compound ID 9oqjpbIWynh
InChI InChI=1S/C21H31ClO5/c1-15(12-22)11-17(23-4)20(25-13-16-9-7-6-8-10-16)19(24-5)18-14-26-21(2,3)27-18/h6-11,17-20H,12-14H2,1-5H3/b15-11+
InChIKey CKTCGYHHHHMAOL-RVDMUPIBSA-N
Mol Weight 398.93 g/mol
Molecular Formula C21H31ClO5
Exact Mass 398.186002 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOWyeFWMdjA
Name D-galacto-Oct-2-enitol, 1-chloro-1,2,3-trideoxy-2-methyl-4,6-di-O-methyl-7,8-O-(1-methylethylidene)-5-O-(phenylmethyl)-, (2E)-
CAS Registry Number 126502-49-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31ClO5
InChI InChI=1S/C21H31ClO5/c1-15(12-22)11-17(23-4)20(25-13-16-9-7-6-8-10-16)19(24-5)18-14-26-21(2,3)27-18/h6-11,17-20H,12-14H2,1-5H3/b15-11+
InChIKey CKTCGYHHHHMAOL-RVDMUPIBSA-N
Molecular Weight 398.927 g/mol
SMILES C1(C(C(C(\C=C\(CCl)C)OC)OCc2ccccc2)OC)OC(C)(C)OC1
SPLASH splash10-001i-2910000000-d03b62a1b557280448d3
Source of Spectrum J-55-2782-28
Synonyms (2E)-2,3-dideoxy-1-chloro-2-methyl-4,6-di-O-methyl-7,8-O-(1-methylethylidene)-5-O-(phenylmethyl)-D-galactooct-2-ene (2E)-5-O-benzyl-1-chloro-1,2,3-trideoxy-2-methyl-4,6-di-O-methyl-7,8-O-(1-methylethylidene)oct-2-enitol
Wiley ID 1368369