Chem
J-GLOBAL ID：201807017124802105   Nikkaji number：J3.704.867D

(1S)-1β-Carboxy-7β-hydroxy-5β-phenyl-3-oxo-1,2,3aβ,3bα,7aα,8a-hexahydro-3H,5H-4,8-dioxa-2-azacyclopenta[a]indene-8aβ-acetic acid

(1S)-1β-カルボキシ-7β-ヒドロキシ-5β-フェニル-3-オキソ-1,2,3aβ,3bα,7aα,8a-ヘキサヒドロ-3H,5H-4,8-ジオキサ-2-アザシクロペンタ[a]インデン-8aβ-酢酸
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： C18H17NO8
Molecular formula furigana： C18-H17-N-O8
Molecular weight： 375.333
InChI： InChI=1S/C18H17NO8/c20-9-6-10(8-4-2-1-3-5-8)26-14-12-16(23)19-15(17(24)25)18(12,7-11(21)22)27-13(9)14/h1-6,10,12-15,20H,7H2,(H,19,23)(H,21,22)(H,24,25)/t10-,12+,13-,14-,15-,18+/m1/s1
InChI key： LTEZTEANDYQAMO-MISMYPOISA-N
SMILES： OC(=O)C[C@]12O[C@H]3[C@H](O[C@H](C=C3O)c3ccccc3)[C@H]1C(=O)N[C@@H]2C(=O)O
Systematic name  (3)：
  • (1S)-1β-カルボキシ-7β-ヒドロキシ-5β-フェニル-3-オキソ-1,2,3aβ,3bα,7aα,8a-ヘキサヒドロ-3H,5H-4,8-ジオキサ-2-アザシクロペンタ[a]インデン-8aβ-酢酸
  • (1R,2R,5S,6S,8S,11R)-6-(カルボキシメチル)-9-ヒドロキシ-3-オキソ-11-フェニル-7,12-ジオキサ-4-アザトリシクロ[6.4.0.02,6]ドデカ-9-エン-5-カルボン酸
  • (1R,2R,5S,6S,8S,11R)-6-(carboxymethyl)-9-hydroxy-3-oxo-11-phenyl-7,12-dioxa-4-azatricyclo[6.4.0.02,6]dodec-9-ene-5-carboxylic acid
Other name (1)：
  • (1S)-1β-Carboxy-7β-hydroxy-5β-phenyl-3-oxo-1,2,3aβ,3bα,7aα,8a-hexahydro-3H,5H-4,8-dioxa-2-azacyclopenta[a]indene-8aβ-acetic acid
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