Chem
J-GLOBAL ID：200907057467130015   Nikkaji number：J338.290G

KT-90

KT-90
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： C24H27NO4S
Molecular formula furigana： C24-H27-N-O4-S
Molecular weight： 425.540
InChI： InChI=1S/C24H27NO4S/c1-13(26)28-19-7-5-16-11-18-17-6-8-20(30-14(2)27)23-24(17,21(16)22(19)29-23)9-10-25(18)12-15-3-4-15/h5-8,15,17-18,20,23H,3-4,9-12H2,1-2H3/t17-,18+,20+,23-,24-/m0/s1
InChI key： CGBBASLLYGTYNG-KEESSRIGSA-N
SMILES： CC(=O)Oc1ccc2C[C@@H]3[C@@H]4C=C[C@@H](SC(=O)C)[C@@H]5Oc1c2[C@]45CCN3CC1CC1
Systematic name  (4)：
  • (-)-3-(アセチルオキシ)-6β-(アセチルチオ)-17-[(シクロプロピル)メチル]-7,8-ジデヒドロ-4,5α-エポキシモルフィナン
  • 6β-(アセチルチオ)-17-(シクロプロピルメチル)-7,8-ジデヒドロ-4,5α-エポキシモルフィナン-3-オールアセタート
  • (1S,5R,13R,14R,17R)-14-(アセチルスルファニル)-4-(シクロプロピルメチル)-12-オキサ-4-アザペンタシクロ[9.6.1.01,13.05,17.07,18]オクタデカ-7,9,11(18),15-テトラエン-10-イル アセタート
  • (1S,5R,13R,14R,17R)-14-(acetylsulfanyl)-4-(cyclopropylmethyl)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18),15-tetraen-10-yl acetate
Other name (3)：
  • (-)-3-(Acetyloxy)-6β-(acetylthio)-17-[(cyclopropyl)methyl]-7,8-didehydro-4,5α-epoxymorphinan
  • KT-90
  • 6β-(Acetylthio)-17-(cyclopropylmethyl)-7,8-didehydro-4,5α-epoxymorphinan-3-ol acetate
Thsaurus map：
Thesaurus Map

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