Chem
J-GLOBAL ID：200907017939833501   Nikkaji number：J843.315A

(1R,3R,5R,9S)-2-Nitro-7α-phenyl-1β,2β-propano-6-oxa-8-thiatricyclo[3.3.1.13,9]decane

(1R,3R,5R,9S)-2-ニトロ-7α-フェニル-1β,2β-プロパノ-6-オキサ-8-チアトリシクロ[3.3.1.13,9]デカン
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： C17H19[N+]O2[O-]S
Molecular formula furigana： C17-H19-N-O3-S
Molecular weight： 317.400
InChI： InChI=1S/C17H19NO3S/c19-18(20)16-7-4-8-17(16)13-9-12(16)10-14(13)21-15(22-17)11-5-2-1-3-6-11/h1-3,5-6,12-15H,4,7-10H2/t12-,13+,14-,15+,16-,17-/m1/s1
InChI key： DSAQZVZPUBGDCK-PHPOFCCKSA-N
SMILES： [O-][N+](=O)[C@@]12CCC[C@@]31S[C@H](O[C@@H]1C[C@H]2C[C@H]31)c1ccccc1
Systematic name  (3)：
  • (1R,3R,5R,9S)-2-ニトロ-7α-フェニル-1β,2β-プロパノ-6-オキサ-8-チアトリシクロ[3.3.1.13,9]デカン
  • (1R,2R,6R,8S,10R,11S)-2-ニトロ-8-フェニル-9-オキサ-7-チアテトラシクロ[8.2.1.02,6.06,11]トリデカン
  • (1R,2R,6R,8S,10R,11S)-2-nitro-8-phenyl-9-oxa-7-thiatetracyclo[8.2.1.02,6.06,11]tridecane
Other name (1)：
  • (1R,3R,5R,9S)-2-Nitro-7α-phenyl-1β,2β-propano-6-oxa-8-thiatricyclo[3.3.1.13,9]decane
Thsaurus map：
Thesaurus Map

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