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

*Links on SpectraBase are not permalinks.

2,2,2-Trichloroethyl ester of N-[(1-oxo-5-(tert-butyldimethylsilyloxy)-6-methyl-8-phenyl)octa-2,7-dienyl]-3-chloro-O-methyl-D-tyrosine isomer

View entire compound with spectra: 1 MS (GC)

2,2,2-Trichloroethyl ester of N-[(1-oxo-5-(tert-butyldimethylsilyloxy)-6-methyl-8-phenyl)octa-2,7-dienyl]-3-chloro-O-methyl-D-tyrosine isomer
SpectraBase Compound ID 3Zs3HQBrpb3
InChI InChI=1S/C33H43Cl4NO5Si/c1-23(16-17-24-12-9-8-10-13-24)28(43-44(6,7)32(2,3)4)14-11-15-30(39)38-27(31(40)42-22-33(35,36)37)21-25-18-19-29(41-5)26(34)20-25/h8-13,15-20,23,27-28H,14,21-22H2,1-7H3,(H,38,39)/b15-11+,17-16+/t23-,27-,28+/m1/s1
InChIKey OYQUPKCLYFBUCT-XVLGPQEFSA-N
Mol Weight 703.6 g/mol
Molecular Formula C33H43Cl4NO5Si
Exact Mass 701.166461 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 6rzWPw8LisF
Name 2,2,2-Trichloroethyl ester of N-[(1-oxo-5-(tert-butyldimethylsilyloxy)-6-methyl-8-phenyl)octa-2,7-dienyl]-3-chloro-O-methyl-D-tyrosine isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H43Cl4NO5Si
InChI InChI=1S/C33H43Cl4NO5Si/c1-23(16-17-24-12-9-8-10-13-24)28(43-44(6,7)32(2,3)4)14-11-15-30(39)38-27(31(40)42-22-33(35,36)37)21-25-18-19-29(41-5)26(34)20-25/h8-13,15-20,23,27-28H,14,21-22H2,1-7H3,(H,38,39)/b15-11+,17-16+/t23-,27-,28+/m1/s1
InChIKey OYQUPKCLYFBUCT-XVLGPQEFSA-N
Molecular Weight 703.606 g/mol
SMILES N([C@@](C(OCC(Cl)(Cl)Cl)=O)(Cc1cc(Cl)c(cc1)OC)[H])C(\C=C\C[C@](O[Si](C(C)(C)C)(C)C)([C@@](\C=C\c1ccccc1)(C)[H])[H])=O
SPLASH splash10-052f-9718031000-482e72fbd744aa12f925
Source of Spectrum C-117-2487-28
Synonyms 2,2,2-trichloroethyl (2R)-2-[((2E,5S,6R,7E)-5-{[tert-butyl(dimethyl)silyl]oxy}-6-methyl-8-phenyl-2,7-octadienoyl)amino]-3-(3-chloro-4-methoxyphenyl)propanoate (2R)-2-[[(2E,5S,6R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-1-oxo-8-phenylocta-2,7-dienyl]amino]-3-(3-chloro-4-methoxyphenyl)propanoic acid 2,2,2-trichloroethyl ester 2,2,2-trichloroethyl (2R)-2-[[(2E,5S,6R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-phenylocta-2,7-dienoyl]amino]-3-(3-chloro-4-methoxyphenyl)propanoate 2,2,2-trichloroethyl (2R)-2-[[(2E,5S,6R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-phenyl-octa-2,7-dienoyl]amino]-3-(3-chloro-4-methoxy-phenyl)propanoate 2,2,2-tris(chloranyl)ethyl (2R)-2-[[(2E,5S,6R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyl-8-phenyl-octa-2,7-dienoyl]amino]-3-(3-chloranyl-4-methoxy-phenyl)propanoate
Wiley ID 758766