Chem
J-GLOBAL ID：200907007052824839   Nikkaji number：J2.145.430C

(2R,4aβ,11S)-2α-Hexyl-11-(benzyloxymethyl)-1,8aα-propanodecahydroquinoline-4α-ol

(2R,4aβ,11S)-2α-ヘキシル-11-(ベンジルオキシメチル)-1,8aα-プロパノデカヒドロキノリン-4α-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： C26H41NO2
Molecular formula furigana： C26-H41-N-O2
Molecular weight： 399.619
InChI： InChI=1S/C26H41NO2/c1-2-3-4-8-13-22-18-25(28)24-14-9-10-16-26(24)17-15-23(27(22)26)20-29-19-21-11-6-5-7-12-21/h5-7,11-12,22-25,28H,2-4,8-10,13-20H2,1H3/t22-,23+,24+,25+,26+/m1/s1
InChI key： OQMCCFJHBNMYDB-RXBPMRIASA-N
SMILES： CCCCCC[C@@H]1C[C@H](O)[C@@H]2CCCC[C@@]32CC[C@@H](COCc2ccccc2)N13
Systematic name  (3)：
  • (2R,4aβ,11S)-2α-ヘキシル-11-(ベンジルオキシメチル)-1,8aα-プロパノデカヒドロキノリン-4α-オール
  • (3S,5R,7S,7aR,11aS)-3-[(ベンジルオキシ)メチル]-5-ヘキシル-デカヒドロ-1H-ピロロ[2,1-f307696]キノリン-7-オール
  • (3S,5R,7S,7aR,11aS)-3-[(benzyloxy)methyl]-5-hexyl-decahydro-1H-pyrrolo[2,1-f307696]quinolin-7-ol
Other name (1)：
  • (2R,4aβ,11S)-2α-Hexyl-11-(benzyloxymethyl)-1,8aα-propanodecahydroquinoline-4α-ol
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