Chem
J-GLOBAL ID：200907013013156080   Nikkaji number：J1.319.678H

17,17′-Bis(cyclopropylmethyl)-6,6′,7,7′-tetradehydro-4,5α:4′,5′α-diepoxy-6,6′-imino-7,7′-bi(morphinan)-3,3′,14,14′-tetrol

17,17′-ビス(シクロプロピルメチル)-6,6′,7,7′-テトラデヒドロ-4,5α:4′,5′α-ジエポキシ-6,6′-イミノ-7,7′-ビ(モルフィナン)-3,3′,14,14′-テトラオール
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： C40H43N3O6
Molecular formula furigana： C40-H43-N3-O6
Molecular weight： 661.799
InChI： InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
InChI key： APSUXPSYBJVPPS-YAUKWVCOSA-N
SMILES： Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Systematic name  (3)：
  • 17,17′-ビス(シクロプロピルメチル)-6,6′,7,7′-テトラデヒドロ-4,5α:4′,5′α-ジエポキシ-6,6′-イミノ-7,7′-ビ(モルフィナン)-3,3′,14,14′-テトラオール
  • 3,3′,14,14′-テトラヒドロキシ-6,6′-イミノ-17,17′-ビス(シクロプロピルメチル)-4,5α:4′,5′α-ジエポキシ-6,6′,7,7′-テトラデヒドロ-7,7′-ビモルフィナン
  • 3,3′,14,14′-テトラヒドロキシ-17,17′-ビス(シクロプロピルメチル)-4,5α:4′,5′α-ビスエポキシ-6,6′,7,7′-テトラデヒドロ-6,6′-エピミノ-7,7′-ビモルフィナン
Other name (3)：
  • 17,17′-Bis(cyclopropylmethyl)-6,6′,7,7′-tetradehydro-4,5α:4′,5′α-diepoxy-6,6′-imino-7,7′-bi(morphinan)-3,3′,14,14′-tetrol
  • 3,3′,14,14′-Tetrahydroxy-6,6′-imino-17,17′-bis(cyclopropylmethyl)-4,5α:4′,5′α-diepoxy-6,6′,7,7′-tetradehydro-7,7′-bimorphinan
  • 3,3′,14,14′-Tetrahydroxy-17,17′-bis(cyclopropylmethyl)-4,5α:4′,5′α-bisepoxy-6,6′,7,7′-tetradehydro-6,6′-epimino-7,7′-bimorphinan
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