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5-[4-[N-[(2R/S)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-ylmethyl]-(2S)-pyrrolidine-2-methoxy]phenylmethylene]thiazolidine-2,4-dione

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

5-[4-[N-[(2R/S)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-ylmethyl]-(2S)-pyrrolidine-2-methoxy]phenylmethylene]thiazolidine-2,4-dione
SpectraBase Compound ID JvPQTg7AX0f
InChI InChI=1S/C29H34N2O5S/c1-17-18(2)26-23(19(3)25(17)32)11-12-29(4,36-26)16-31-13-5-6-21(31)15-35-22-9-7-20(8-10-22)14-24-27(33)30-28(34)37-24/h7-10,14,21,32H,5-6,11-13,15-16H2,1-4H3,(H,30,33,34)/b24-14-/t21-,29?/m0/s1
InChIKey YZKDSEWVOOJDTJ-ORUWBHDGSA-N
Mol Weight 522.7 g/mol
Molecular Formula C29H34N2O5S
Exact Mass 522.218843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6sbNt7kepAM
Name 5-[4-[N-[(2R/S)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-ylmethyl]-(2S)-pyrrolidine-2-methoxy]phenylmethylene]thiazolidine-2,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.218843372 u
Formula C29H34N2O5S
InChI InChI=1S/C29H34N2O5S/c1-17-18(2)26-23(19(3)25(17)32)11-12-29(4,36-26)16-31-13-5-6-21(31)15-35-22-9-7-20(8-10-22)14-24-27(33)30-28(34)37-24/h7-10,14,21,32H,5-6,11-13,15-16H2,1-4H3,(H,30,33,34)/b24-14-/t21-,29?/m0/s1
InChIKey YZKDSEWVOOJDTJ-ORUWBHDGSA-N
Molecular Weight 522.660 g/mol
SMILES C1(NC(\C(S1)=C\C1=CC=C(OC[C@]2(N(CC3(OC4=C(C(C)=C(C(=C4CC3)C)O)C)C)CCC2)[H])C=C1)=O)=O