Chem
J-GLOBAL ID：200907059420528820   Nikkaji number：J14.412F

Affinisine

アフィニシン
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： C20H24N2O
Molecular formula furigana： C20-H24-N2-O
Molecular weight： 308.425
InChI： InChI=1S/C20H24N2O/c1-3-12-10-22-18-9-15-13-6-4-5-7-17(13)21(2)20(15)19(22)8-14(12)16(18)11-23/h3-7,14,16,18-19,23H,8-11H2,1-2H3/b12-3-/t14-,16+,18-,19-/m0/s1
InChI key： UVWQYWHKTZABSO-ILADVTTDSA-N
SMILES： C/C=C\1/CN2[C@H]3Cc4c([C@@H]2C[C@@H]1[C@H]3CO)n(C)c1ccccc41
Systematic name  (3)：
  • 1-メチルサルパガン-17-オール
  • [(1S,12S,13R,14R,15E)-15-エチリデン-3-メチル-3,17-ジアザペンタシクロ[12.3.1.02,10.04,9.012,17]オクタデカ-2(10),4,6,8-テトラエン-13-イル]メタノール
  • [(1S,12S,13R,14R,15E)-15-ethylidene-3-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
Other name (5)：
  • アフィニシン
  • Affinisine
  • 1-Methylsarpagan-17-ol
  • デ(ヒドロキシメチル)ボアカロチノール
  • De(hydroxymethyl)voachalotinol
CAS registry number： 2912-11-0
KEGG COMPOUND： C09022
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