Chem
J-GLOBAL ID：200907008148773719   Nikkaji number：J8.796C

Napelline

ナペリン
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： C22H33NO3
Molecular formula furigana： C22-H33-N-O3
Molecular weight： 359.510
InChI： InChI=1S/C22H33NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12-,13+,14+,15-,16-,17+,18?,19-,20+,21+,22+/m1/s1
InChI key： AZAZKLKDEOMJBJ-PJQVMQLNSA-N
SMILES： CCN1C[C@]2(C)CC[C@H](O)[C@]34C1[C@H](C[C@H]23)[C@@]12C[C@@H]([C@@H](O)C[C@@H]41)C(=C)[C@H]2O
Systematic name  (3)：
  • 21-エチル-4-メチル-16-メチレン-7α,20-シクロベアトカン-1α,12α,15β-トリオール
  • (1R,2R,4S,5R,7R,8R,9R,13R,16S,17R)-11-エチル-13-メチル-6-メチリデン-11-アザヘキサシクロ[7.7.2.15,8.01,10.02,8.013,17]ノナデカン-4,7,16-トリオール
  • (1R,2R,4S,5R,7R,8R,9R,13R,16S,17R)-11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol
Other name (5)：
  • ナペリン
  • ルシクリン
  • Napelline
  • Luciculine
  • 21-Ethyl-4-methyl-16-methylene-7α,20-cycloveatchane-1α,12α,15β-triol
CAS registry number： 5008-52-6
KEGG COMPOUND： C08700
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