2,2,2-Trichloroethyl ester of N-[(1-oxo-5(S)-hydroxy-6(R)-methyl-8-phenyl)octa-2,7-dienyl]-O-methyl-D-tyrosine

SpectraBase Compound ID	BEh463mdcv2
InChI	InChI=1S/C27H30Cl3NO5/c1-19(11-12-20-7-4-3-5-8-20)24(32)9-6-10-25(33)31-23(26(34)36-18-27(28,29)30)17-21-13-15-22(35-2)16-14-21/h3-8,10-16,19,23-24,32H,9,17-18H2,1-2H3,(H,31,33)/b10-6+,12-11+/t19-,23+,24+/m1/s1
InChIKey	QXGKDMQQNGXKCD-UDRDWFCXSA-N Google Search
Mol Weight	554.9 g/mol
Molecular Formula	C27H30Cl3NO5
Exact Mass	553.118956 g/mol

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SpectraBase Spectrum ID	GK8jUK7yhs9
Name	2,2,2-Trichloroethyl ester of N-[(1-oxo-5(S)-hydroxy-6(R)-methyl-8-phenyl)octa-2,7-dienyl]-O-methyl-D-tyrosine
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H30Cl3NO5
InChI	InChI=1S/C27H30Cl3NO5/c1-19(11-12-20-7-4-3-5-8-20)24(32)9-6-10-25(33)31-23(26(34)36-18-27(28,29)30)17-21-13-15-22(35-2)16-14-21/h3-8,10-16,19,23-24,32H,9,17-18H2,1-2H3,(H,31,33)/b10-6+,12-11+/t19-,23+,24+/m1/s1
InChIKey	QXGKDMQQNGXKCD-UDRDWFCXSA-N
Molecular Weight	554.898 g/mol
SMILES	N([C@](C(OCC(Cl)(Cl)Cl)=O)(Cc1ccc(cc1)OC)[H])C(\C=C\C[C@@]([C@@](\C=C\c1ccccc1)(C)[H])(O)[H])=O
SPLASH	splash10-024i-0096200000-56601161fc4c7a6ef5e8
Source of Spectrum	C-117-2488-3
Synonyms	2,2,2-trichloroethyl (2S)-2-{[(2E,5S,6R,7E)-5-hydroxy-6-methyl-8-phenyl-2,7-octadienoyl]amino}-3-(4-methoxyphenyl)propanoate 2,2,2-Trichloroethyl ester of N-[(1-oxo-5-hydroxy-6-methyl-8-phenyl)octa-2,7-dienyl]-O-methyl-D-tyrosine
Wiley ID	758765