Chem
J-GLOBAL ID：200907014689677259   Nikkaji number：J365.226B

17-Cyclopropylmethyl-4,5α-epoxy-3-hydroxy-6-methoxy-α,α-dimethyl-6,14-ethanomorphinan-7α-methanol

17-シクロプロピルメチル-4,5α-エポキシ-3-ヒドロキシ-6-メトキシ-α,α-ジメチル-6,14-エタノモルフィナン-7α-メタノール
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： C26H35NO4
Molecular formula furigana： C26-H35-N-O4
Molecular weight： 425.569
InChI： InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24+,25+,26?/m1/s1
InChI key： OIJXLIIMXHRJJH-HNZPHIBSSA-N
SMILES： COC12CC[C@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
Systematic name  (3)：
  • 17-シクロプロピルメチル-4,5α-エポキシ-3-ヒドロキシ-6-メトキシ-α,α-ジメチル-6,14-エタノモルフィナン-7α-メタノール
  • (1R,2R,6S,14R,16R)-3-(シクロプロピルメチル)-16-(2-ヒドロキシプロパン-2-イル)-15-メトキシ-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
  • (1R,2R,6S,14R,16R)-3-(cyclopropylmethyl)-16-(2-hydroxypropan-2-yl)-15-methoxy-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)：
  • 17-Cyclopropylmethyl-4,5α-epoxy-3-hydroxy-6-methoxy-α,α-dimethyl-6,14-ethanomorphinan-7α-methanol
Thsaurus map：
Thesaurus Map

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