Chem
J-GLOBAL ID：200907019934101211   Nikkaji number：J637.472G

(5R,6R,7S,14S)-7-(1-Hydroxy-1-methylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-17-(2-propynyl)-6,14-ethenomorphinan

(5R,6R,7S,14S)-7-(1-ヒドロキシ-1-メチルエチル)-4,5-エポキシ-18,19-ジヒドロ-3-ヒドロキシ-6-メトキシ-17-(2-プロピニル)-6,14-エテノモルフィナン
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： C25H31NO4
Molecular formula furigana： C25-H31-N-O4
Molecular weight： 409.526
InChI： InChI=1S/C25H31NO4/c1-5-11-26-12-10-24-19-15-6-7-16(27)20(19)30-21(24)25(29-4)9-8-23(24,18(26)13-15)14-17(25)22(2,3)28/h1,6-7,17-18,21,27-28H,8-14H2,2-4H3/t17-,18+,21+,23+,24-,25+/m0/s1
InChI key： LZLZEHYJICTGPS-MCYIDLMQSA-N
SMILES： CO[C@]12CC[C@@]3(C[C@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC#C)c45
Systematic name  (3)：
  • (5R,6R,7S,14S)-7-(1-ヒドロキシ-1-メチルエチル)-4,5-エポキシ-18,19-ジヒドロ-3-ヒドロキシ-6-メトキシ-17-(2-プロピニル)-6,14-エテノモルフィナン
  • (1S,2R,6S,14R,15R,16S)-16-(2-ヒドロキシプロパン-2-イル)-15-メトキシ-3-(プロパ-2-イン-1-イル)-13-オキサ-3-アザヘキサシクロ[13.2.2.12,8.01,6.06,14.07,12]イコサ-7(12),8,10-トリエン-11-オール
  • (1S,2R,6S,14R,15R,16S)-16-(2-hydroxypropan-2-yl)-15-methoxy-3-(prop-2-yn-1-yl)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7(12),8,10-trien-11-ol
Other name (1)：
  • (5R,6R,7S,14S)-7-(1-Hydroxy-1-methylethyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-17-(2-propynyl)-6,14-ethenomorphinan
Thsaurus map：
Thesaurus Map

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