Chem
J-GLOBAL ID:200907094346257436   Nikkaji number:J495.249I

4,5α-Epoxy-17-(cyclobutylmethyl)morphinan-3,6,14-triol

4,5α-エポキシ-17-(シクロブチルメチル)モルフィナン-3,6,14-トリオール
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: C21H27NO4
Molecular formula furigana: C21-H27-N-O4
Molecular weight: 357.450
InChI: InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15?,16-,19+,20+,21-/m1/s1
InChI key: NETZHAKZCGBWSS-QUPQZYKRSA-N
SMILES: OC1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45
Systematic name  (3):
  • 4,5α-エポキシ-17-(シクロブチルメチル)モルフィナン-3,6,14-トリオール
  • (1S,5R,13R,17S)-4-(シクロブチルメチル)-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)-トリエン-10,14,17-トリオール
  • (1S,5R,13R,17S)-4-(cyclobutylmethyl)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-triene-10,14,17-triol
Other name (1):
  • 4,5α-Epoxy-17-(cyclobutylmethyl)morphinan-3,6,14-triol
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