Chem
J-GLOBAL ID：201707018226543847   Nikkaji number：J3.656.190D

(1S)-1-Fluoro-3β-formyl-2β-hydroxy-2-methyl-5α-nitro-4α,6α-diphenylcyclohexane-1β-carboxylic acid methyl ester

(1S)-1-フルオロ-3β-ホルミル-2β-ヒドロキシ-2-メチル-5α-ニトロ-4α,6α-ジフェニルシクロヘキサン-1β-カルボン酸メチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C22H22F[N+]O5[O-]
Molecular formula furigana： C22-H22-F-N-O6
Molecular weight： 415.417
InChI： InChI=1S/C22H22FNO6/c1-21(27)16(13-25)17(14-9-5-3-6-10-14)19(24(28)29)18(15-11-7-4-8-12-15)22(21,23)20(26)30-2/h3-13,16-19,27H,1-2H3/t16-,17-,18-,19-,21-,22+/m0/s1
InChI key： LVLXWMJNVAVFID-OVMLJTRSSA-N
SMILES： COC(=O)[C@]1(F)[C@H]([C@H]([C@H]([C@H](C=O)[C@]1(C)O)c1ccccc1)[N+](=O)[O-])c1ccccc1
Systematic name  (3)：
  • (1S)-1-フルオロ-3β-ホルミル-2β-ヒドロキシ-2-メチル-5α-ニトロ-4α,6α-ジフェニルシクロヘキサン-1β-カルボン酸メチル
  • メチル (1S,2S,3S,4R,5S,6S)-1-フルオロ-3-ホルミル-2-ヒドロキシ-2-メチル-5-ニトロ-4,6-ジフェニルシクロヘキサン-1-カルボキシラート
  • methyl (1S,2S,3S,4R,5S,6S)-1-fluoro-3-formyl-2-hydroxy-2-methyl-5-nitro-4,6-diphenylcyclohexane-1-carboxylate
Other name (1)：
  • (1S)-1-Fluoro-3β-formyl-2β-hydroxy-2-methyl-5α-nitro-4α,6α-diphenylcyclohexane-1β-carboxylic acid methyl ester
Thsaurus map：
Thesaurus Map

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