Chem
J-GLOBAL ID:200907017205165797   Nikkaji number:J2.001.653A

(1β,6α,7β,8β,12β)-3-Phenyl-5-oxa-4-azatetracyclo[5.5.1.02,6.08,12]tridecane-3,9-diene-2α,10-dicarboxylic acid dimethyl ester

(1β,6α,7β,8β,12β)-3-フェニル-5-オキサ-4-アザテトラシクロ[5.5.1.02,6.08,12]トリデカン-3,9-ジエン-2α,10-ジカルボン酸ジメチル
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: C21H21NO5
Molecular formula furigana: C21-H21-N-O5
Molecular weight: 367.401
InChI: InChI=1S/C21H21NO5/c1-25-19(23)12-8-13-14(9-12)16-10-15(13)18-21(16,20(24)26-2)17(22-27-18)11-6-4-3-5-7-11/h3-8,13-16,18H,9-10H2,1-2H3/t13-,14+,15+,16-,18+,21-/m1/s1
InChI key: WTIUTFCEUHOXRJ-ORWWXWNZSA-N
SMILES: COC(=O)C1=C[C@H]2[C@@H]3C[C@H]([C@H]2C1)[C@@]1([C@H]3ON=C1c1ccccc1)C(=O)OC
Systematic name  (3):
  • (1β,6α,7β,8β,12β)-3-フェニル-5-オキサ-4-アザテトラシクロ[5.5.1.02,6.08,12]トリデカン-3,9-ジエン-2α,10-ジカルボン酸ジメチル
  • 6,10-ジメチル (1S,2S,6R,7R,8S,12S)-5-フェニル-3-オキサ-4-アザテトラシクロ[5.5.1.02,6.08,12]トリデカ-4,10-ジエン-6,10-ジカルボキシラート
  • 6,10-dimethyl (1S,2S,6R,7R,8S,12S)-5-phenyl-3-oxa-4-azatetracyclo[5.5.1.02,6.08,12]trideca-4,10-diene-6,10-dicarboxylate
Other name (1):
  • (1β,6α,7β,8β,12β)-3-Phenyl-5-oxa-4-azatetracyclo[5.5.1.02,6.08,12]tridecane-3,9-diene-2α,10-dicarboxylic acid dimethyl ester
Thsaurus map:

Return to Previous Page