Chem
J-GLOBAL ID：200907032401318002   Nikkaji number：J1.919.020J

(3bS,10S)-2-(3-Acetoxypropyl)-6-(phenylsulfonyl)-10-vinyl-9-(5-hexenoyl)-8α,7aα-(epiminoethano)-3bα,5,6,7,7a,8-hexahydro-4H-1-oxa-6-azacyclopenta[a]indene

(3bS,10S)-2-(3-アセトキシプロピル)-6-(フェニルスルホニル)-10-ビニル-9-(5-ヘキセノイル)-8α,7aα-(エピミノエタノ)-3bα,5,6,7,7a,8-ヘキサヒドロ-4H-1-オキサ-6-アザシクロペンタ[a]インデン
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： C31H38N2O6S
Molecular formula furigana： C31-H38-N2-O6-S
Molecular weight： 566.710
InChI： InChI=1S/C31H38N2O6S/c1-4-6-8-15-28(35)33-23(5-2)20-31-21-32(40(36,37)25-13-9-7-10-14-25)17-16-27(31)26-19-24(39-29(26)30(31)33)12-11-18-38-22(3)34/h4-5,7,9-10,13-14,19,23,27,30H,1-2,6,8,11-12,15-18,20-21H2,3H3/t23-,27-,30-,31-/m1/s1
InChI key： KGGBPNCZUSIWQE-IBKATHDBSA-N
SMILES： CC(=O)OCCCc1cc2[C@H]3CCN(C[C@@]43C[C@@H](C=C)N([C@@H]4c2o1)C(=O)CCCC=C)S(=O)(=O)c1ccccc1
Systematic name  (3)：
  • (3bS,10S)-2-(3-アセトキシプロピル)-6-(フェニルスルホニル)-10-ビニル-9-(5-ヘキセノイル)-8α,7aα-(エピミノエタノ)-3bα,5,6,7,7a,8-ヘキサヒドロ-4H-1-オキサ-6-アザシクロペンタ[a]インデン
  • 3-[(1S,3S,5S,11S)-14-(ベンゼンスルホニル)-3-エテニル-4-(ヘキサ-5-エノイル)-7-オキサ-4,14-ジアザテトラシクロ[9.4.0.01,5.06,10]ペンタデカ-6(10),8-ジエン-8-イル]プロピル アセタート
  • 3-[(1S,3S,5S,11S)-14-(benzenesulfonyl)-3-ethenyl-4-(hex-5-enoyl)-7-oxa-4,14-diazatetracyclo[9.4.0.01,5.06,10]pentadeca-6(10),8-dien-8-yl]propyl acetate
Other name (1)：
  • (3bS,10S)-2-(3-Acetoxypropyl)-6-(phenylsulfonyl)-10-vinyl-9-(5-hexenoyl)-8α,7aα-(epiminoethano)-3bα,5,6,7,7a,8-hexahydro-4H-1-oxa-6-azacyclopenta[a]indene
Thsaurus map：
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