Chem
J-GLOBAL ID：200907024455970942   Nikkaji number：J15.526H

Spiradine A

スピラジンA
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： C20H25NO2
Molecular formula furigana： C20-H25-N-O2
Molecular weight： 311.425
InChI： InChI=1S/C20H25NO2/c1-10-7-18-8-20(23)16-17(2)4-3-5-19(16)14(18)13(22)11(10)6-12(18)15(19)21(20)9-17/h11-12,14-16,23H,1,3-9H2,2H3/t11-,12-,14-,15-,16-,17+,18?,19+,20-/m1/s1
InChI key： YWJLOJZDBLDKSA-QUNFCDDWSA-N
SMILES： C[C@]12CN3[C@@H]4[C@H]5C[C@@H]6C(=C)C[C@]75C[C@@]3(O)[C@H]1[C@@]4(CCC2)[C@@H]7C6=O
Systematic name  (3)：
  • 6-ヒドロキシヘチサン-11-オン
  • (1S,5R,8R,9S,11R,14S,16R,17R,18R)-16-ヒドロキシ-5-メチル-12-メチリデン-7-アザヘプタシクロ[9.6.2.01,8.05,17.07,16.09,14.014,18]ノナデカン-19-オン
  • (1S,5R,8R,9S,11R,14S,16R,17R,18R)-16-hydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-one
Other name (3)：
  • スピラジンA
  • Spiradine A
  • 6-Hydroxyhetisan-11-one
CAS registry number： 19741-46-9
KEGG COMPOUND： C08708
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