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3-Formyl-2-hydroxy-4-para-methoxyphenyl-2-methyl-5-nitro-6-phenylcyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID Baa2AHrkNXD
InChI InChI=1S/C23H25NO7/c1-23(27)17(13-25)18(15-9-11-16(30-2)12-10-15)21(24(28)29)19(20(23)22(26)31-3)14-7-5-4-6-8-14/h4-13,17-21,27H,1-3H3/t17-,18-,19+,20-,21-,23-/m1/s1
InChIKey LHNWPCJWWJPTBL-WRYYQEFWSA-N
Mol Weight 427.45 g/mol
Molecular Formula C23H25NO7
Exact Mass 427.163102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zrqVw2oYLn
Name 3-Formyl-2-hydroxy-4-para-methoxyphenyl-2-methyl-5-nitro-6-phenylcyclohexanecarboxylic acid methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NO7
InChI InChI=1S/C23H25NO7/c1-23(27)17(13-25)18(15-9-11-16(30-2)12-10-15)21(24(28)29)19(20(23)22(26)31-3)14-7-5-4-6-8-14/h4-13,17-21,27H,1-3H3/t17-,18-,19+,20-,21-,23-/m1/s1
InChIKey LHNWPCJWWJPTBL-WRYYQEFWSA-N
Literature Reference DOI 10.1002/adsc.201200120
Molecular Weight 427.453 g/mol
SMILES O[C@@]1(C)[C@]([C@@]([C@@]([C@](c2ccc(cc2)OC)([C@]1(C=O)[H])[H])([N+](=O)[O-])[H])(c1ccccc1)[H])(C(=O)OC)[H]
SPLASH splash10-004i-2435900000-ad3598edb438f7b23e72
Source of Spectrum ASC-354-1486-5h
Synonyms (1S,2R,3R,4S,5R,6R)-methyl 3-formyl-2-hydroxy-4-(4-methoxyphenyl)-2-methyl-5-nitro-6-phenylcyclohexanecarboxylate
Wiley ID 1763064