Chem
J-GLOBAL ID：200907098064441370   Nikkaji number：J980.663F

(7S,20S)-Etorphine

(7S,20S)-エトルフィン
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： C25H33NO4
Molecular formula furigana： C25-H33-N-O4
Molecular weight： 411.542
InChI： InChI=1S/C25H33NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3/t17-,18+,21+,22?,23-,24-,25+/m0/s1
InChI key： CAHCBJPUTCKATP-NCDGMHIESA-N
SMILES： CCCC(C)(O)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O
Systematic name  (3)：
  • (5R)-6β-メトキシ-7β-(1-ヒドロキシ-1-メチルブチル)-17-メチル-4,5α-エポキシ-6,14-エテノモルフィナン-3-オール
  • (1S,2R,6S,14R,15R,19S)-19-(2-ヒドロキシペンタン-2-イル)-15-メトキシ-3-メチル-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),8,10,16-テトラエン-11-オール
  • (1S,2R,6S,14R,15R,19S)-19-(2-hydroxypentan-2-yl)-15-methoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7(12),8,10,16-tetraen-11-ol
Other name (3)：
  • (5R)-6β-Methoxy-7β-(1-hydroxy-1-methylbutyl)-17-methyl-4,5α-epoxy-6,14-ethenomorphinan-3-ol
  • (7S,20S)-エトルフィン
  • (7S,20S)-Etorphine
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