Chem
J-GLOBAL ID：200907085623825766   Nikkaji number：J17.222G

Irehine

イレヒン
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： C23H39NO
Molecular formula furigana： C23-H39-N-O
Molecular weight： 345.571
InChI： InChI=1S/C23H39NO/c1-15(24(4)5)19-8-9-20-18-7-6-16-14-17(25)10-12-22(16,2)21(18)11-13-23(19,20)3/h6,15,17-21,25H,7-14H2,1-5H3/t15-,17-,18-,19+,20-,21-,22-,23+/m0/s1
InChI key： UJGXCOFZMJCRLN-VBFLNORGSA-N
SMILES： C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C
Systematic name  (4)：
  • (20S)-20-ジメチルアミノプレグナ-5-エン-3β-オール
  • (20S)-20-(ジメチルアミノ)プレグナ-5-エン-3β-オール
  • (1S,3aS,3bS,7S,9aR,9bS,11aS)-1-[(1S)-1-(ジメチルアミノ)エチル]-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オール
  • (1S,3aS,3bS,7S,9aR,9bS,11aS)-1-[(1S)-1-(dimethylamino)ethyl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
Other name (8)：
  • イレヒン
  • ブキソメギン
  • Irehine
  • Buxomegine
  • (20S)-20-Dimethylaminopregn-5-en-3β-ol
Show all
CAS registry number： 2309-39-9
KEGG COMPOUND： C10810
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