Chem
J-GLOBAL ID：200907092089924636   Nikkaji number：J17.481E

Denudatine

デヌダチン
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： C22H33NO2
Molecular formula furigana： C22-H33-N-O2
Molecular weight： 343.511
InChI： InChI=1S/C22H33NO2/c1-4-23-11-20(3)7-5-8-22-15(20)10-14(18(22)23)21-9-6-13(12(2)19(21)25)16(24)17(21)22/h13-19,24-25H,2,4-11H2,1,3H3/t13-,14+,15-,16+,17-,18-,19-,20+,21+,22+/m1/s1
InChI key： OVXLNQAYPUEDSI-ZAWREGRRSA-N
SMILES： CCN1C[C@]2(C)CCC[C@]34[C@H]1[C@H](C[C@H]23)[C@@]12CC[C@@H]([C@H](O)[C@@H]41)C(=C)[C@H]2O
Systematic name  (3)：
  • (20R)-16,17-ジデヒドロ-21-エチル-4-メチル-7α,20-シクロアチダン-11β,15β-ジオール
  • (1S,5R,8R,9R,10S,11R,13R,14S,15S,16R)-7-エチル-5-メチル-12-メチリデン-7-アザヘキサシクロ[7.6.2.210,13.01,8.05,16.010,15]ノナデカン-11,14-ジオール
  • (1S,5R,8R,9R,10S,11R,13R,14S,15S,16R)-7-ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-11,14-diol
Other name (3)：
  • デヌダチン
  • Denudatine
  • (20R)-16,17-Didehydro-21-ethyl-4-methyl-7α,20-cycloatidane-11β,15β-diol
CAS registry number： 26166-37-0
KEGG COMPOUND： C08680
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