Chem
J-GLOBAL ID：200907026549462552   Nikkaji number：J2.392.862K

(3aS)-1-[(1R)-1-(Tetralin-5-yl)ethyl]-3aβ-(3,4-dimethoxyphenyl)-3a,4,5,6,7,7aα-hexahydro-1H-indole-2(3H)-one

(7aα)-1-[(R)-1-(5,6,7,8-テトラヒドロナフタレン-1-イル)エチル]-3aβ-(3,4-ジメトキシフェニル)オクタヒドロ-2H-インドール-2-オン
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： C28H35NO3
Molecular formula furigana： C28-H35-N-O3
Molecular weight： 433.592
InChI： InChI=1S/C28H35NO3/c1-19(22-12-8-10-20-9-4-5-11-23(20)22)29-26-13-6-7-16-28(26,18-27(29)30)21-14-15-24(31-2)25(17-21)32-3/h8,10,12,14-15,17,19,26H,4-7,9,11,13,16,18H2,1-3H3/t19-,26-,28+/m1/s1
InChI key： LMRAJVGYXBMSQX-YPLOMLCWSA-N
SMILES： COc1ccc(cc1OC)[C@]12CC(=O)N([C@H](C)c3cccc4CCCCc34)[C@@H]1CCCC2
Systematic name  (4)：
  • (7aα)-1-[(R)-1-(5,6,7,8-テトラヒドロナフタレン-1-イル)エチル]-3aβ-(3,4-ジメトキシフェニル)オクタヒドロ-2H-インドール-2-オン
  • (3aS)-1-[(1R)-1-(テトラリン-5-イル)エチル]-3aβ-(3,4-ジメトキシフェニル)-3a,4,5,6,7,7aα-ヘキサヒドロ-1H-インドール-2(3H)-オン
  • (3aS,7aR)-3a-(3,4-ジメトキシフェニル)-1-[(1R)-1-(5,6,7,8-テトラヒドロナフタレン-1-イル)エチル]-オクタヒドロ-1H-インドール-2-オン
  • (3aS,7aR)-3a-(3,4-dimethoxyphenyl)-1-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)ethyl]-octahydro-1H-indol-2-one
Other name (2)：
  • (7aα)-1-[(R)-1-(5,6,7,8-Tetrahydronaphthalene-1-yl)ethyl]-3aβ-(3,4-dimethoxyphenyl)octahydro-2H-indole-2-one
  • (3aS)-1-[(1R)-1-(Tetralin-5-yl)ethyl]-3aβ-(3,4-dimethoxyphenyl)-3a,4,5,6,7,7aα-hexahydro-1H-indole-2(3H)-one
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