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(2S)-2-[(R)-1-(Benzyloxy)-1-(dimethoxymethyl)ethyl]-N-(E)-(R)-2-iodo-4-methyl-2-octenyl]pyrrolidine
SpectraBase Compound ID fDvo6oR26W
InChI InChI=1S/C25H40INO3/c1-6-7-12-20(2)17-22(26)18-27-16-11-15-23(27)25(3,24(28-4)29-5)30-19-21-13-9-8-10-14-21/h8-10,13-14,17,20,23-24H,6-7,11-12,15-16,18-19H2,1-5H3/b22-17-/t20-,23+,25-/m1/s1
InChIKey LDYDXKPNHXKOIB-FUZQRRCBSA-N
Mol Weight 529.5 g/mol
Molecular Formula C25H40INO3
Exact Mass 529.205289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zpJg83oJ8j
Name (2S)-2-[(R)-1-(Benzyloxy)-1-(dimethoxymethyl)ethyl]-N-(E)-(R)-2-iodo-4-methyl-2-octenyl]pyrrolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40INO3
InChI InChI=1S/C25H40INO3/c1-6-7-12-20(2)17-22(26)18-27-16-11-15-23(27)25(3,24(28-4)29-5)30-19-21-13-9-8-10-14-21/h8-10,13-14,17,20,23-24H,6-7,11-12,15-16,18-19H2,1-5H3/b22-17-/t20-,23+,25-/m1/s1
InChIKey LDYDXKPNHXKOIB-FUZQRRCBSA-N
Molecular Weight 529.503 g/mol
SMILES [C@@]([C@]1(N(C\C(=C\[C@@](CCCC)(C)[H])I)CCC1)[H])(OCc1ccccc1)(C(OC)OC)C
SPLASH splash10-00di-0009000000-bd464bcae45257aa4a91
Source of Spectrum C-115-11405-55
Synonyms (2S)-2-[(1R)-1-(benzyloxy)-2,2-dimethoxy-1-methylethyl]-1-[(2Z,4R)-2-iodo-4-methyl-2-octenyl]pyrrolidine
Wiley ID 1403198