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(3S,5R)-3-[3-(Benzyloxy)propyl]-14-methoxy-1-oxo-3,4,5,6,7,8-hexahydro-1H-2-benzoxacyclododecin-5-yl 2,4,6-trichlorobenzoate

View entire compound with spectra: 1 MS (GC)

(3S,5R)-3-[3-(Benzyloxy)propyl]-14-methoxy-1-oxo-3,4,5,6,7,8-hexahydro-1H-2-benzoxacyclododecin-5-yl 2,4,6-trichlorobenzoate
SpectraBase Compound ID 5zknJbog0V8
InChI InChI=1S/C33H33Cl3O6/c1-39-29-16-8-13-23-12-6-3-7-14-25(42-33(38)31-27(35)18-24(34)19-28(31)36)20-26(41-32(37)30(23)29)15-9-17-40-21-22-10-4-2-5-11-22/h2,4-6,8,10-13,16,18-19,25-26H,3,7,9,14-15,17,20-21H2,1H3/b12-6-/t25-,26+/m1/s1
InChIKey ILLYMMCFDOOCJO-IYKZPQPSSA-N
Mol Weight 632.0 g/mol
Molecular Formula C33H33Cl3O6
Exact Mass 630.134272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6UE6SzQtzHX
Name (3S,5R)-3-[3-(Benzyloxy)propyl]-14-methoxy-1-oxo-3,4,5,6,7,8-hexahydro-1H-2-benzoxacyclododecin-5-yl 2,4,6-trichlorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H33Cl3O6
InChI InChI=1S/C33H33Cl3O6/c1-39-29-16-8-13-23-12-6-3-7-14-25(42-33(38)31-27(35)18-24(34)19-28(31)36)20-26(41-32(37)30(23)29)15-9-17-40-21-22-10-4-2-5-11-22/h2,4-6,8,10-13,16,18-19,25-26H,3,7,9,14-15,17,20-21H2,1H3/b12-6-/t25-,26+/m1/s1
InChIKey ILLYMMCFDOOCJO-IYKZPQPSSA-N
Molecular Weight 631.980 g/mol
SMILES C(c1c(cc(cc1Cl)Cl)Cl)(=O)O[C@]1(C[C@@](OC(c2c(\C=C/CCC1)cccc2OC)=O)(CCCOCc1ccccc1)[H])[H]
SPLASH splash10-052g-1092010000-fdb73e8c4c4e757feef4
Source of Spectrum CV-2003-951-48
Wiley ID 1610969