Chem
J-GLOBAL ID:200907068519246396   Nikkaji number:J584.634J

(Z)-7-Benzylidenenaltrexone

(Z)-7-ベンジリデンナルトレキソン
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: C27H27NO4
Molecular formula furigana: C27-H27-N-O4
Molecular weight: 429.516
InChI: InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12-/t21-,25+,26+,27-/m1/s1
InChI key: WXOUFNFMPVMGFZ-XEGDMQTMSA-N
SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)/C(=C\c1ccccc1)/C[C@@]35O
Systematic name  (3):
  • 7-[(Z)-ベンジリデン]-17-(シクロプロピルメチル)-4,5α-エポキシ-3,14-ジヒドロキシモルフィナン-6-オン
  • (1S,5R,13R,15Z,17S)-4-(シクロプロピルメチル)-10,17-ジヒドロキシ-15-(フェニルメチリデン)-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)-トリエン-14-オン
  • (1S,5R,13R,15Z,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-15-(phenylmethylidene)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-one
Other name (3):
  • (Z)-7-ベンジリデンナルトレキソン
  • (Z)-7-Benzylidenenaltrexone
  • 7-[(Z)-Benzylidene]-17-(cyclopropylmethyl)-4,5α-epoxy-3,14-dihydroxymorphinan-6-one
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