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

*Links on SpectraBase are not permalinks.
(3R,9S,11S,13R,14S,16S)-14-hydroxy-3-(4-hydroxy-3-iodo-benzyl)-16-isopropyl-4,9,11,13-tetramethyl-1-oxa-4,7-diazacyclohexadecane-2,5,8-trione
SpectraBase Compound ID DgFNIK1bW5t
InChI InChI=1S/C27H41IN2O6/c1-15(2)24-13-23(32)17(4)9-16(3)10-18(5)26(34)29-14-25(33)30(6)21(27(35)36-24)12-19-7-8-22(31)20(28)11-19/h7-8,11,15-18,21,23-24,31-32H,9-10,12-14H2,1-6H3,(H,29,34)/t16-,17+,18-,21+,23-,24-/m0/s1
InChIKey AGOHOFZYIJTTKY-IMROQKSMSA-N
Mol Weight 616.5 g/mol
Molecular Formula C27H41IN2O6
Exact Mass 616.200932 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 GMb9klZP45Z
Name (3R,9S,11S,13R,14S,16S)-14-hydroxy-3-(4-hydroxy-3-iodo-benzyl)-16-isopropyl-4,9,11,13-tetramethyl-1-oxa-4,7-diazacyclohexadecane-2,5,8-trione
Alternate Name(s) (3R,9S,11S,13R,14S,16S)-14-hydroxy-3-[(4-hydroxy-3-iodo-phenyl)methyl]-16-isopropyl-4,9,11,13-tetramethyl-1-oxa-4,7-diazacyclohexadecane-2,5,8-trione (3R,9S,11S,13R,14S,16S)-14-hydroxy-3-[(4-hydroxy-3-iodophenyl)methyl]-4,9,11,13-tetramethyl-16-propan-2-yl-1-oxa-4,7-diazacyclohexadecane-2,5,8-trione (3R,9S,11S,13R,14S,16S)-3-[(3-iodanyl-4-oxidanyl-phenyl)methyl]-4,9,11,13-tetramethyl-14-oxidanyl-16-propan-2-yl-1-oxa-4,7-diazacyclohexadecane-2,5,8-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H41IN2O6
InChI InChI=1S/C27H41IN2O6/c1-15(2)24-13-23(32)17(4)9-16(3)10-18(5)26(34)29-14-25(33)30(6)21(27(35)36-24)12-19-7-8-22(31)20(28)11-19/h7-8,11,15-18,21,23-24,31-32H,9-10,12-14H2,1-6H3,(H,29,34)/t16-,17+,18-,21+,23-,24-/m0/s1
InChIKey AGOHOFZYIJTTKY-IMROQKSMSA-N
Molecular Weight 616.537 g/mol
SMILES N1CC(N([C@@](C(O[C@@](C[C@@]([C@](C)(C[C@@](C[C@@](C1=O)(C)[H])(C)[H])[H])(O)[H])(C(C)C)[H])=O)(Cc1cc(I)c(cc1)O)[H])C)=O
SPLASH splash10-01di-0075229000-52e3b5ba7c79dfcde9c1
Source of Spectrum F-50-12873-1
Wiley ID 789902