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

*Links on SpectraBase are not permalinks.

[2,2,2-Trichloroethyl ester of 3-chloro-O-methyl-D-tyrosine-N-[(1-oxo-6-methyl-8-phenyl)octa-2,7-dien-5-yl] (2S,2'R)-2-[[3'-[(tert-butoxycarbonyl)amino]-2'-methylpropanoyl]oxy]-4-methypentanoate

Compound with spectra: 1 MS (GC)

[2,2,2-Trichloroethyl ester of 3-chloro-O-methyl-D-tyrosine-N-[(1-oxo-6-methyl-8-phenyl)octa-2,7-dien-5-yl] (2S,2'R)-2-[[3'-[(tert-butoxycarbonyl)amino]-2'-methylpropanoyl]oxy]-4-methypentanoate
SpectraBase Compound ID 5K9DjSSK5Cr
InChI InChI=1S/C42H54Cl4N2O10/c1-26(2)21-35(57-37(50)28(4)24-47-40(53)58-41(5,6)7)39(52)56-33(27(3)17-18-29-13-10-9-11-14-29)15-12-16-36(49)48-32(38(51)55-25-42(44,45)46)23-30-19-20-34(54-8)31(43)22-30/h9-14,16-20,22,26-28,32-33,35H,15,21,23-25H2,1-8H3,(H,47,53)(H,48,49)/b16-12+,18-17+/t27-,28-,32-,33+,35+/m1/s1
InChIKey SUVDFIWRIGRXBH-NCDCQRRUSA-N
Mol Weight 888.7 g/mol
Molecular Formula C42H54Cl4N2O10
Exact Mass 886.253257 g/mol
Enantiomer InChIKey SUVDFIWRIGRXBH-ULTOZPKTSA-N

View Spectrum of [2,2,2-Trichloroethyl ester of 3-chloro-O-methyl-D-tyrosine-N-[(1-oxo-6-methyl-8-phenyl)octa-2,7-dien-5-yl] (2S,2'R)-2-[[3'-[(tert-butoxycarbonyl)amino]-2'-methylpropanoyl]oxy]-4-methypentanoate

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum C-117-2489-33
Cyclic Depsipeptide (cryptophycin C isomer)
5R,6S)-Cryptophycin C
(3S,6R,10R,13E,16S)-10-(3-chloro-4-methoxy-benzyl)-3-isobutyl-6-methyl-16-[(E,1R)-1-methyl-3-phenyl-allyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-diquinone
CRYPTOPHYCIN-C
Cryptophycin-17
(E)-(3S,6R,10R,16S)-10-(3-Chloro-4-methoxy-benzyl)-6-methyl-16-((E)-(R)-1-methyl-3-phenyl-allyl)-3-propyl-1,4-dioxa-8,11-diaza-cyclohexadec-13-ene-2,5,9,12-tetraone
Cryptophycin-49
Cryptophycin-19
Cryptophycin-24
DL-Tyrosine, 3-methoxy-O-methyl-N-(3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropyl) -, methyl ester, (S)-
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.