Chem
J-GLOBAL ID:200907051789746242   Nikkaji number:J993.699H

7α-Phenyl-17-(cyclopropylmethyl)-4,5α-epoxymorphinan-3,6α-diol 6-acetate

7α-フェニル-17-(シクロプロピルメチル)-4,5α-エポキシモルフィナン-3,6α-ジオール6-アセタート
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: C28H31NO4
Molecular formula furigana: C28-H31-N-O4
Molecular weight: 445.559
InChI: InChI=1S/C28H31NO4/c1-16(30)32-25-20(18-5-3-2-4-6-18)14-21-22-13-19-9-10-23(31)26-24(19)28(21,27(25)33-26)11-12-29(22)15-17-7-8-17/h2-6,9-10,17,20-22,25,27,31H,7-8,11-15H2,1H3/t20-,21+,22-,25+,27+,28+/m1/s1
InChI key: FLXQAGPECOYJKI-XVOVHKGZSA-N
SMILES: CC(=O)O[C@@H]1[C@@H]2Oc3c4c(C[C@@H]5[C@H](C[C@@H]1c1ccccc1)[C@]24CCN5CC1CC1)ccc3O
Systematic name  (3):
  • 7α-フェニル-17-(シクロプロピルメチル)-4,5α-エポキシモルフィナン-3,6α-ジオール6-アセタート
  • (1S,5R,13R,14S,15R,17R)-4-(シクロプロピルメチル)-10-ヒドロキシ-15-フェニル-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)-トリエン-14-イル アセタート
  • (1S,5R,13R,14S,15R,17R)-4-(cyclopropylmethyl)-10-hydroxy-15-phenyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-yl acetate
Other name (1):
  • 7α-Phenyl-17-(cyclopropylmethyl)-4,5α-epoxymorphinan-3,6α-diol 6-acetate
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