Chem
J-GLOBAL ID:200907049875424750   Nikkaji number:J1.903.357K

17-(Cyclopropylmethyl)-4,5α-epoxy-3,6-dimethoxy-14-hydroxymorphinan

17-(シクロプロピルメチル)-4,5α-エポキシ-3,6-ジメトキシ-14-ヒドロキシモルフィナン
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: C22H29NO4
Molecular formula furigana: C22-H29-N-O4
Molecular weight: 371.477
InChI: InChI=1S/C22H29NO4/c1-25-15-6-5-14-11-17-22(24)8-7-16(26-2)20-21(22,18(14)19(15)27-20)9-10-23(17)12-13-3-4-13/h5-6,13,16-17,20,24H,3-4,7-12H2,1-2H3/t16?,17-,20+,21+,22-/m1/s1
InChI key: XHEMKRVYRUEONX-DMWNDTRGSA-N
SMILES: COC1CC[C@@]2(O)[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Systematic name  (3):
  • 17-(シクロプロピルメチル)-4,5α-エポキシ-3,6-ジメトキシ-14-ヒドロキシモルフィナン
  • (1S,5R,13R,17S)-4-(シクロプロピルメチル)-10,14-ジメトキシ-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-17-オール
  • (1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,14-dimethoxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-17-ol
Other name (1):
  • 17-(Cyclopropylmethyl)-4,5α-epoxy-3,6-dimethoxy-14-hydroxymorphinan
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