Chem
J-GLOBAL ID：200907014758800386   Nikkaji number：J1.753.731H

(10bR)-3-Oxo-7,10-dihydroxy-1,2,3,6,10b-pentahydro-5-oxaacephenanthrylene-10b-carbonitrile

(10bR)-3-オキソ-7,10-ジヒドロキシ-1,2,3,6,10b-ペンタヒドロ-5-オキサアセフェナントリレン-10b-カルボニトリル
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： C16H11NO4
Molecular formula furigana： C16-H11-N-O4
Molecular weight： 281.267
InChI： InChI=1S/C16H11NO4/c17-7-16-4-3-11(19)9-6-21-13(15(9)16)5-8-10(18)1-2-12(20)14(8)16/h1-2,6,18,20H,3-5H2/t16-/m1/s1
InChI key： LEGLCWNOTHQOHJ-MRXNPFEDSA-N
SMILES： Oc1ccc(O)c2c1Cc1occ3c1[C@]2(CCC3=O)C#N
Systematic name  (3)：
  • (10bR)-3-オキソ-7,10-ジヒドロキシ-1,2,3,6,10b-ペンタヒドロ-5-オキサアセフェナントリレン-10b-カルボニトリル
  • (1R)-3,6-ジヒドロキシ-13-オキソ-10-オキサテトラシクロ[7.6.1.02,7.012,16]ヘキサデカ-2(7),3,5,9(16),11-ペンタエン-1-カルボニトリル
  • (1R)-3,6-dihydroxy-13-oxo-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16),11-pentaene-1-carbonitrile
Other name (1)：
  • (10bR)-3-Oxo-7,10-dihydroxy-1,2,3,6,10b-pentahydro-5-oxaacephenanthrylene-10b-carbonitrile
Thsaurus map：
Thesaurus Map

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