Chem
J-GLOBAL ID：200907083021508015   Nikkaji number：J563.405I

Win-51708

Win-51708
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： C29H33N3O
Molecular formula furigana： C29-H33-N3-O
Molecular weight： 439.603
InChI： InChI=1S/C29H33N3O/c1-4-29(33)14-12-22-20-10-9-19-15-24-18(16-27(19,2)21(20)11-13-28(22,29)3)17-32-25-8-6-5-7-23(25)30-26(32)31-24/h1,5-8,17,19-22,33H,9-16H2,2-3H3/t19-,20+,21-,22-,27-,28-,29-/m0/s1
InChI key： AIIXYCDTEGICEE-HZVAOYAWSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]34C)[C@@H]1CC[C@@]2(O)C#C
Systematic name  (3)：
  • 17-エチニル-5α-アンドロスタノ[3,2-b][ピリミド[1,2-a]ベンゾイミダゾール]-17β-オール
  • (3S,4S,7S,8R,11S,12R,15S)-8-エチニル-3,7-ジメチル-18,20,27-トリアザヘプタシクロ[15.11.0.03,15.04,12.07,11.019,27.021,26]オクタコサ-1(28),17,19,21,23,25-ヘキサエン-8-オール
  • (3S,4S,7S,8R,11S,12R,15S)-8-ethynyl-3,7-dimethyl-18,20,27-triazaheptacyclo[15.11.0.03,15.04,12.07,11.019,27.021,26]octacosa-1(28),17,19,21,23,25-hexaen-8-ol
Other name (2)：
  • Win-51708
  • 17-Ethynyl-5α-androstano[3,2-b][pyrimido[1,2-a]benzimidazol]-17β-ol
CAS registry number： 144177-30-0
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