Chem
J-GLOBAL ID：200907060041093733   Nikkaji number：J2.766.687F

Lindheimerine

リンドハイメリン
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： C22H31NO2
Molecular formula furigana： C22-H31-N-O2
Molecular weight： 341.495
InChI： InChI=1S/C22H31NO2/c1-14-16-5-6-18-21(11-16,19(14)25-15(2)24)10-7-17-20(3)8-4-9-22(17,18)13-23-12-20/h13,16-19H,1,4-12H2,2-3H3/t16-,17-,18-,19-,20+,21-,22+/m1/s1
InChI key： XLRFZCAOXVMMEG-CBDMQDTOSA-N
SMILES： CC(=O)O[C@@H]1C(=C)[C@H]2C[C@]31CC[C@@H]1[C@@]4(C)CCC[C@@]1(C=NC4)[C@@H]3CC2
Systematic name  (3)：
  • 20,21-ジデヒドロ-4-メチル16-メチレンベアトカン-15β-オールアセタート
  • (1S,2S,5R,7R,8R,11R,12R)-12-メチル-6-メチリデン-14-アザペンタシクロ[10.3.3.15,8.01,11.02,8]ノナデカ-14-エン-7-イル アセタート
  • (1S,2S,5R,7R,8R,11R,12R)-12-methyl-6-methylidene-14-azapentacyclo[10.3.3.15,8.01,11.02,8]nonadec-14-en-7-yl acetate
Other name (3)：
  • 20,21-Didehydro-4-methyl 16-methyleneveatchane-15β-ol acetate
  • Lindheimerine
  • リンドハイメリン
CAS registry number： 68831-67-4
KEGG COMPOUND： C08695
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