Chem
J-GLOBAL ID：200907029250388401   Nikkaji number：J14.128C

Terminaline

テルミナリン
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： C23H41NO2
Molecular formula furigana： C23-H41-N-O2
Molecular weight： 363.586
InChI： InChI=1S/C23H41NO2/c1-14(24(4)5)16-8-9-17-15-6-7-19-21(26)20(25)11-13-23(19,3)18(15)10-12-22(16,17)2/h14-21,25-26H,6-13H2,1-5H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+/m0/s1
InChI key： QTNGLMWAVBOBLJ-RCFZRFIHSA-N
SMILES： C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C
Systematic name  (4)：
  • (20S)-20-ジメチルアミノ-5α-プレグナン-3β,4α-ジオール
  • (20S)-20-(ジメチルアミノ)-5α-プレグナン-3β,4α-ジオール
  • (1S,3aS,3bS,5aR,6S,7S,9aR,9bS,11aS)-1-[(1S)-1-(ジメチルアミノ)エチル]-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-6,7-ジオール
  • (1S,3aS,3bS,5aR,6S,7S,9aR,9bS,11aS)-1-[(1S)-1-(dimethylamino)ethyl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-6,7-diol
Other name (4)：
  • テルミナリン
  • Terminaline
  • (20S)-20-Dimethylamino-5α-pregnane-3β,4α-diol
  • (20S)-20-(Dimethylamino)-5α-pregnane-3β,4α-diol
CAS registry number： 15112-49-9
KEGG COMPOUND： C10825
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