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(3S,4S,5R,6R)-3-(2-((2E,4E)-Hexa-2,4-dienyloxy)ethyl)-5-nitro-4,6-diphenylcyclo-hex-1-ene-carbaldehyde
SpectraBase Compound ID 5plvd0mFuCL
InChI InChI=1S/C27H29NO4/c1-2-3-4-11-17-32-18-16-23-19-24(20-29)26(22-14-9-6-10-15-22)27(28(30)31)25(23)21-12-7-5-8-13-21/h2-15,19-20,23,25-27H,16-18H2,1H3/b3-2+,11-4+/t23-,25+,26+,27+/m0/s1
InChIKey GDXLBJVVVPRWPP-RKVXTYQFSA-N
Mol Weight 431.53 g/mol
Molecular Formula C27H29NO4
Exact Mass 431.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 746bv3YfOk3
Name (3S,4S,5R,6R)-3-(2-((2E,4E)-Hexa-2,4-dienyloxy)ethyl)-5-nitro-4,6-diphenylcyclo-hex-1-ene-carbaldehyde
Alternate Name(s) (1'S,2'R,3'R,6'S)-6'-(2-((2E,4E)-hexa-2,4-dien-1-yloxy)ethyl)-2'-nitro-1',2',3',6'-tetrahydro-[1,1':3',1''-terphenyl]-4'-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29NO4
InChI InChI=1S/C27H29NO4/c1-2-3-4-11-17-32-18-16-23-19-24(20-29)26(22-14-9-6-10-15-22)27(28(30)31)25(23)21-12-7-5-8-13-21/h2-15,19-20,23,25-27H,16-18H2,1H3/b3-2+,11-4+/t23-,25+,26+,27+/m0/s1
InChIKey GDXLBJVVVPRWPP-RKVXTYQFSA-N
Literature Reference DOI 10.1002/adsc.200700396
Molecular Weight 431.532 g/mol
SMILES C1(=C[C@@]([C@]([C@]([C@@]1(c1ccccc1)[H])([N+](=O)[O-])[H])(c1ccccc1)[H])(CCOC\C=C\C=C\C)[H])C=O
SPLASH splash10-0f89-9367000000-b1bf03b4986f00bd8a34
Source of Spectrum ASC-350-267/SM15-36h
Wiley ID 1766005