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(4S,7R,8S,16S)-8-Hydroxy-4-(4-methoxybenzyloxy)-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-ethenyl]-1-oxacyclohexadec-13-en-2,6-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(4S,7R,8S,16S)-8-Hydroxy-4-(4-methoxybenzyloxy)-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-ethenyl]-1-oxacyclohexadec-13-en-2,6-dione
SpectraBase Compound ID 6426HOU4A4k
InChI InChI=1S/C34H47NO6S/c1-22-12-10-8-9-11-13-29(23(2)18-27-21-42-25(4)35-27)41-31(36)19-30(34(5,6)33(38)24(3)32(22)37)40-20-26-14-16-28(39-7)17-15-26/h9,11,14-18,21-22,24,29-30,32,37H,8,10,12-13,19-20H2,1-7H3/b11-9+,23-18+/t22?,24-,29+,30+,32+/m1/s1
InChIKey VIXIWGOLELVWRP-WOFCRBNASA-N
Mol Weight 597.8 g/mol
Molecular Formula C34H47NO6S
Exact Mass 597.312409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DI8iFTwPUrR
Name (4S,7R,8S,16S)-8-Hydroxy-4-(4-methoxybenzyloxy)-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-ethenyl]-1-oxacyclohexadec-13-en-2,6-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 597.312409405 u
Formula C34H47NO6S
InChI InChI=1S/C34H47NO6S/c1-22-12-10-8-9-11-13-29(23(2)18-27-21-42-25(4)35-27)41-31(36)19-30(34(5,6)33(38)24(3)32(22)37)40-20-26-14-16-28(39-7)17-15-26/h9,11,14-18,21-22,24,29-30,32,37H,8,10,12-13,19-20H2,1-7H3/b11-9+,23-18+/t22?,24-,29+,30+,32+/m1/s1
InChIKey VIXIWGOLELVWRP-WOFCRBNASA-N
Molecular Weight 597.811 g/mol
SMILES C1(C([C@](CC(O[C@](\C(=C\C=2N=C(C)SC2)C)(C\C=C\CCCC([C@@]([C@]1(C)[H])(O)[H])C)[H])=O)(OCC1=CC=C(C=C1)OC)[H])(C)C)=O