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(3S,6R,9S,12R,15S,18R)-3-((S)-sec-Butyl)-6-isobutyl-9,12,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexaone

View entire compound with spectra: 1 NMR

(3S,6R,9S,12R,15S,18R)-3-((S)-sec-Butyl)-6-isobutyl-9,12,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexaone
SpectraBase Compound ID Ak2nJlAgB8a
InChI InChI=1S/C35H61N3O9/c1-16-23(12)27-35(44)47-29(22(10)11)32(41)37(14)26(20(6)7)34(43)46-28(21(8)9)31(40)36(13)25(19(4)5)33(42)45-24(17-18(2)3)30(39)38(27)15/h18-29H,16-17H2,1-15H3/t23-,24+,25-,26-,27-,28+,29+/m0/s1
InChIKey SWNBFQKIMCBNRL-JLIGBPSQSA-N
Mol Weight 667.9 g/mol
Molecular Formula C35H61N3O9
Exact Mass 667.440781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B7xv5FS8AxE
Name (3S,6R,9S,12R,15S,18R)-3-((S)-sec-Butyl)-6-isobutyl-9,12,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexaone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 667.440780547 u
Formula C35H61N3O9
InChI InChI=1S/C35H61N3O9/c1-16-23(12)27-35(44)47-29(22(10)11)32(41)37(14)26(20(6)7)34(43)46-28(21(8)9)31(40)36(13)25(19(4)5)33(42)45-24(17-18(2)3)30(39)38(27)15/h18-29H,16-17H2,1-15H3/t23-,24+,25-,26-,27-,28+,29+/m0/s1
InChIKey SWNBFQKIMCBNRL-JLIGBPSQSA-N
Molecular Weight 667.885 g/mol
SMILES [C@]1(C(O[C@@](C(N([C@](C(O[C@@](C(N([C@](C(O[C@@](C(N1C)=O)(C(C)C)[H])=O)(C(C)C)[H])C)=O)(C(C)C)[H])=O)([C@](CC)(C)[H])[H])C)=O)(CC(C)C)[H])=O)(C(C)C)[H]