Chem
J-GLOBAL ID:200907016471474898   Nikkaji number:J1.105.543E

(1R,3aβ,6aβ)-1-[(S)-1-Benzyl-2-hydroxy-2,2-diphenylethyl]octahydrocyclopenta[b]pyrrole 1-oxide

(1R,3aβ,6aβ)-1-[(S)-1-ベンジル-2-ヒドロキシ-2,2-ジフェニルエチル]オクタヒドロシクロペンタ[b]ピロール1-オキシド
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: C28H31[N+]O[O-]
Molecular formula furigana: C28-H31-N-O2
Molecular weight: 413.561
InChI: InChI=1S/C28H31NO2/c30-28(24-14-6-2-7-15-24,25-16-8-3-9-17-25)27(21-22-11-4-1-5-12-22)29(31)20-19-23-13-10-18-26(23)29/h1-9,11-12,14-17,23,26-27,30H,10,13,18-21H2/t23-,26-,27-,29+/m0/s1
InChI key: PTAUCMVTBGIDMU-QCVYLVASSA-N
SMILES: OC([C@H](Cc1ccccc1)[N@@+]1([O-])CC[C@@H]2CCC[C@H]12)(c1ccccc1)c1ccccc1
Systematic name  (3):
  • (1R,3aβ,6aβ)-1-[(S)-1-ベンジル-2-ヒドロキシ-2,2-ジフェニルエチル]オクタヒドロシクロペンタ[b]ピロール1-オキシド
  • (1R,3aS,6aS)-1-[(2S)-1-ヒドロキシ-1,1,3-トリフェニルプロパン-2-イル]-オクタヒドロシクロペンタ[b]ピロール-1-イウム-1-オラート
  • (1R,3aS,6aS)-1-[(2S)-1-hydroxy-1,1,3-triphenylpropan-2-yl]-octahydrocyclopenta[b]pyrrol-1-ium-1-olate
Other name (1):
  • (1R,3aβ,6aβ)-1-[(S)-1-Benzyl-2-hydroxy-2,2-diphenylethyl]octahydrocyclopenta[b]pyrrole 1-oxide
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