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(2S,5S,7E,11R,15R)-11-(3-chloro-4-methoxy-benzyl)-5-[(1S,2R,3R)-2,3-dihydroxy-1-methyl-3-phenyl-propyl]-2-isobutyl-15-methyl-1-oxa-4,10,13-triazacyclohexadec-7-ene-3,9,12,16-diquinone

View entire compound with spectra: 1 MS (GC)

(2S,5S,7E,11R,15R)-11-(3-chloro-4-methoxy-benzyl)-5-[(1S,2R,3R)-2,3-dihydroxy-1-methyl-3-phenyl-propyl]-2-isobutyl-15-methyl-1-oxa-4,10,13-triazacyclohexadec-7-ene-3,9,12,16-diquinone
SpectraBase Compound ID 7f6e5AmIq35
InChI InChI=1S/C35H46ClN3O8/c1-20(2)16-29-34(44)39-26(22(4)31(41)32(42)24-10-7-6-8-11-24)12-9-13-30(40)38-27(33(43)37-19-21(3)35(45)47-29)18-23-14-15-28(46-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32,41-42H,12,16,18-19H2,1-5H3,(H,37,43)(H,38,40)(H,39,44)/b13-9+/t21-,22+,26+,27-,29+,31-,32-/m1/s1
InChIKey QRCVAANEPCIUKT-GYTUTEQVSA-N
Mol Weight 672.2 g/mol
Molecular Formula C35H46ClN3O8
Exact Mass 671.297343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1bfeqeiIRMP
Name (2S,5S,7E,11R,15R)-11-(3-chloro-4-methoxy-benzyl)-5-[(1S,2R,3R)-2,3-dihydroxy-1-methyl-3-phenyl-propyl]-2-isobutyl-15-methyl-1-oxa-4,10,13-triazacyclohexadec-7-ene-3,9,12,16-diquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H46ClN3O8
InChI InChI=1S/C35H46ClN3O8/c1-20(2)16-29-34(44)39-26(22(4)31(41)32(42)24-10-7-6-8-11-24)12-9-13-30(40)38-27(33(43)37-19-21(3)35(45)47-29)18-23-14-15-28(46-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32,41-42H,12,16,18-19H2,1-5H3,(H,37,43)(H,38,40)(H,39,44)/b13-9+/t21-,22+,26+,27-,29+,31-,32-/m1/s1
InChIKey QRCVAANEPCIUKT-GYTUTEQVSA-N
Molecular Weight 672.219 g/mol
SMILES N1[C@]([C@@]([C@]([C@@](c2ccccc2)(O)[H])(O)[H])(C)[H])(C\C=C\C(N[C@@](C(=O)NC[C@](C(O[C@](C1=O)(CC(C)C)[H])=O)(C)[H])(Cc1cc(Cl)c(cc1)OC)[H])=O)[H]
SPLASH splash10-014i-9250000000-4248723b6b0becb19b22
Source of Spectrum F-56-3349-27
Synonyms (2S,5S,7E,11R,15R)-11-[(3-chloro-4-methoxy-phenyl)methyl]-5-[(1S,2R,3R)-2,3-dihydroxy-1-methyl-3-phenyl-propyl]-2-isobutyl-15-methyl-1-oxa-4,10,13-triazacyclohexadec-7-ene-3,9,12,16-tetrone (2S,5S,7E,11R,15R)-11-[(3-chloro-4-methoxyphenyl)methyl]-5-[(2S,3R,4R)-3,4-dihydroxy-4-phenylbutan-2-yl]-15-methyl-2-(2-methylpropyl)-1-oxa-4,10,13-triazacyclohexadec-7-ene-3,9,12,16-tetrone (2S,5S,7E,11R,15R)-5-[(2S,3R,4R)-3,4-bis(oxidanyl)-4-phenyl-butan-2-yl]-11-[(3-chloranyl-4-methoxy-phenyl)methyl]-15-methyl-2-(2-methylpropyl)-1-oxa-4,10,13-triazacyclohexadec-7-ene-3,9,12,16-tetrone
Wiley ID 857078