Chem
J-GLOBAL ID:200907088367008550   Nikkaji number:J1.172.771I

3-tert-Butyl-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-3-ol

3-tert-ブチル-2,3,4,4a,8,9,13b,14-オクタヒドロ-1H-ベンゾ[6,7]シクロヘプタ[1,2,3-de]ピリド[2,1-a]イソキノリン-3-オール
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: C25H31NO
Molecular formula furigana: C25-H31-N-O
Molecular weight: 361.529
InChI: InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3
InChI key: ZZJYIKPMDIWRSN-UHFFFAOYSA-N
SMILES: CC(C)(C)C1(O)CCN2CC3c4ccccc4CCc4cccc(C2C1)c34
Systematic name  (3):
  • 3-tert-ブチル-2,3,4,4a,8,9,13b,14-オクタヒドロ-1H-ベンゾ[6,7]シクロヘプタ[1,2,3-de]ピリド[2,1-a]イソキノリン-3-オール
  • 6-tert-ブチル-3-アザペンタシクロ[11.8.1.03,8.09,22.016,21]ドコサ-9(22),10,12,16,18,20-ヘキサエン-6-オール
  • 6-tert-butyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9(22),10,12,16,18,20-hexaen-6-ol
Other name (1):
  • 3-tert-Butyl-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinolin-3-ol
CAS registry number: 36504-93-5
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