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4-[N-[(3R)-Benzyloxy-2,3-dihydroxy-2,2,4,6,7-pentametylbenzofuran-3-ylmethyl]-(2S)-pyrrolidin-2-ylmethoxy]nitrobenzene
SpectraBase Compound ID 1jnVwiv3Yzh
InChI InChI=1S/C32H38N2O5/c1-21-22(2)31-29(23(3)30(21)38-19-24-10-7-6-8-11-24)28(32(4,5)39-31)18-33-17-9-12-26(33)20-37-27-15-13-25(14-16-27)34(35)36/h6-8,10-11,13-16,26,28H,9,12,17-20H2,1-5H3/t26-,28?/m0/s1
InChIKey OYJXLADXPWZSPO-QODXOHEASA-N
Mol Weight 530.7 g/mol
Molecular Formula C32H38N2O5
Exact Mass 530.278072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F3szESvzf7C
Name 4-[N-[(3R)-Benzyloxy-2,3-dihydroxy-2,2,4,6,7-pentametylbenzofuran-3-ylmethyl]-(2S)-pyrrolidin-2-ylmethoxy]nitrobenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H38N2O5
InChI InChI=1S/C32H38N2O5/c1-21-22(2)31-29(23(3)30(21)38-19-24-10-7-6-8-11-24)28(32(4,5)39-31)18-33-17-9-12-26(33)20-37-27-15-13-25(14-16-27)34(35)36/h6-8,10-11,13-16,26,28H,9,12,17-20H2,1-5H3/t26-,28?/m0/s1
InChIKey OYJXLADXPWZSPO-QODXOHEASA-N
Molecular Weight 530.665 g/mol
SMILES c12C(C(C)(C)Oc2c(C)c(c(c1C)OCc1ccccc1)C)CN1[C@](COc2ccc(N(=O)=O)cc2)(CCC1)[H]
SPLASH splash10-0a4r-1090000000-508293d97bac8d4cfbfd
Source of Spectrum F2-42-1937-15
Synonyms (2S)-1-[(5-benzoxy-2,2,4,6,7-pentamethyl-coumaran-3-yl)methyl]-2-[(4-nitrophenoxy)methyl]pyrrolidine (2S)-1-[(5-benzyloxy-2,2,4,6,7-pentamethyl-3H-benzofuran-3-yl)methyl]-2-[(4-nitrophenoxy)methyl]pyrrolidine (2S)-2-[(4-nitrophenoxy)methyl]-1-[(2,2,4,6,7-pentamethyl-5-phenylmethoxy-3H-benzofuran-3-yl)methyl]pyrrolidine (2S)-2-[(4-nitrophenoxy)methyl]-1-[(2,2,4,6,7-pentamethyl-5-phenylmethoxy-3H-1-benzofuran-3-yl)methyl]pyrrolidine
Wiley ID 1600200