Chem
J-GLOBAL ID：200907020274342960   Nikkaji number：J1.218.096I

BU-72

(6R,20S)-6β-メトキシ-7,17-ジメチル-20-フェニル-5β,7β-(エピミノメタノ)-6,14α-エテノモルフィナン-3-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： C28H32N2O2
Molecular formula furigana： C28-H32-N2-O2
Molecular weight： 428.576
InChI： InChI=1S/C28H32N2O2/c1-25-17-26-11-12-28(25,32-3)24(29-23(25)18-7-5-4-6-8-18)27(26)13-14-30(2)22(26)15-19-9-10-20(31)16-21(19)27/h4-12,16,22-24,29,31H,13-15,17H2,1-3H3/t22-,23+,24+,25+,26-,27+,28+/m1/s1
InChI key： RGJHUVJQGAAZLK-CLYKQLRXSA-N
SMILES： CO[C@]12C=C[C@]34C[C@@]1(C)[C@@H](N[C@H]2[C@]13CCN(C)[C@@H]4Cc2ccc(O)cc12)c1ccccc1
Systematic name  (4)：
  • (6R,20S)-6β-メトキシ-7,17-ジメチル-20-フェニル-5β,7β-(エピミノメタノ)-6,14α-エテノモルフィナン-3-オール
  • (2S,3S,3aR,5aR,6R,11bR,11cS)-3a-メトキシ-3,14-ジメチル-2-フェニル-2,3,3a,6,7,11c-ヘキサヒドロ-6,11b-(エピミノエタノ)-3,5a-メタノ-1H-ナフト[2,1-g]インドール-10-オール
  • (1R,2S,4S,5S,6R,9R,10R)-6-メトキシ-5,20-ジメチル-4-フェニル-3,20-ジアザヘキサシクロ[8.7.3.15,9.01,9.02,6.012,17]ヘンイコサ-7,12,14,16-テトラエン-15-オール
  • (1R,2S,4S,5S,6R,9R,10R)-6-methoxy-5,20-dimethyl-4-phenyl-3,20-diazahexacyclo[8.7.3.15,9.01,9.02,6.012,17]henicosa-7,12,14,16-tetraen-15-ol
Other name (3)：
  • (6R,20S)-6β-Methoxy-7,17-dimethyl-20-phenyl-5β,7β-(epiminomethano)-6,14α-ethenomorphinan-3-ol
  • (2S,3S,3aR,5aR,6R,11bR,11cS)-3a-Methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-6,11b-(epiminoethano)-3,5a-methano-1H-naphtho[2,1-g]indole-10-ol
  • BU-72
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