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4-[N-[(3R/S)-2,3-Dihydro-5-benzyloxy-2,2,4,6,7-pentamethylbenzofuran-3-ylmethyl)-(2S)-pyrrolidin-2-ylmethoxy]benzaldehyde
SpectraBase Compound ID Gg72j64mq0y
InChI InChI=1S/C33H39NO4/c1-22-23(2)32-30(24(3)31(22)36-21-26-10-7-6-8-11-26)29(33(4,5)38-32)19-34-17-9-12-28(18-34)37-27-15-13-25(20-35)14-16-27/h6-8,10-11,13-16,20,28-29H,9,12,17-19,21H2,1-5H3/t28-,29?/m1/s1
InChIKey UBOMXGRQULFZCM-FICMROCWSA-N
Mol Weight 513.7 g/mol
Molecular Formula C33H39NO4
Exact Mass 513.287909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2M6a6IacrDI
Name 4-[N-[(3R/S)-2,3-Dihydro-5-benzyloxy-2,2,4,6,7-pentamethylbenzofuran-3-ylmethyl)-(2S)-pyrrolidin-2-ylmethoxy]benzaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H39NO4
InChI InChI=1S/C33H39NO4/c1-22-23(2)32-30(24(3)31(22)36-21-26-10-7-6-8-11-26)29(33(4,5)38-32)19-34-17-9-12-28(18-34)37-27-15-13-25(20-35)14-16-27/h6-8,10-11,13-16,20,28-29H,9,12,17-19,21H2,1-5H3/t28-,29?/m1/s1
InChIKey UBOMXGRQULFZCM-FICMROCWSA-N
Molecular Weight 513.678 g/mol
SMILES c12c(OC(C2CN2C[C@](Oc3ccc(C=O)cc3)(CCC2)[H])(C)C)c(C)c(c(c1C)OCc1ccccc1)C
SPLASH splash10-014i-2090000000-5c8e61907a6eec855d48
Source of Spectrum F2-42-1936-17
Synonyms 4-[[(3R)-1-[(2,2,4,6,7-pentamethyl-5-phenylmethoxy-3H-benzofuran-3-yl)methyl]-3-piperidinyl]oxy]benzaldehyde 4-[[(3R)-1-[(5-benzyloxy-2,2,4,6,7-pentamethyl-3H-benzofuran-3-yl)methyl]-3-piperidyl]oxy]benzaldehyde 4-[(3R)-1-[(2,2,4,6,7-pentamethyl-5-phenylmethoxy-3H-1-benzofuran-3-yl)methyl]piperidin-3-yl]oxybenzaldehyde
Wiley ID 1600110