(6R,6aR,7R,13S,14R,16R)-5-(Acetyloxy)-6,6a,7,13,14,16-hexahydro-8-hydroxy-9-methoxy-4,10,23-trimethyl-19,20-dioxo-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-14-carbonitrile

Catalog No. :
ACLAEK331
CAS No. :
308359-33-3
Molecular Formula :
C31H31N3O9S
Molecular Weight :
621.66

IUPAC Name:(6R,6aR,7R,13S,14R,16R)-5-(Acetyloxy)-6,6a,7,13,14,16-hexahydro-8-hydroxy-9-methoxy-4,10,23-trimethyl-19,20-dioxo-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-14-carbonitrile

(6R,6aR,7R,13S,14R,16R)-5-(Acetyloxy)-6,6a,7,13,14,16-hexahydro-8-hydroxy-9-methoxy-4,10,23-trimethyl-19,20-dioxo-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-14-carbonitrile structure diagram
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Product Information

Product Name(6R,6aR,7R,13S,14R,16R)-5-(Acetyloxy)-6,6a,7,13,14,16-hexahydro-8-hydroxy-9-methoxy-4,10,23-trimethyl-19,20-dioxo-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-14-carbonitrile
IUPAC Name(6R,6aR,7R,13S,14R,16R)-5-(Acetyloxy)-6,6a,7,13,14,16-hexahydro-8-hydroxy-9-methoxy-4,10,23-trimethyl-19,20-dioxo-6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-14-carbonitrile
Molecular FormulaC31H31N3O9S
Molecular Weight621.66
SMILESCOC1=C(C)C=C2C([C@@]3([H])N(C)[C@](C2)([H])[C@H](C#N)N4[C@]5([H])C6=C7C(OCO7)=C(C)C(OC(C)=O)=C6[C@@]([H])(SCC(C(OC5)=O)=O)[C@]43[H])=C1O
InChI KeyYSERURBZPDTJCX-FJWCZQISSA-N
SynonymTrabectedin Intermediate A24;6,16-(Epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-14-carbonitrile, 5-(acetyloxy)-6,6a,7,13,14,16-hexahydro-8-hydroxy-9-methoxy-4,10,23-trimethyl-19,20-dioxo-, (6R,6aR,7R,13S,14R,16R)-;N-2 trabectedin API;6,16-(Epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-14-carbonitrile, 5-(acetyloxy)-6,6a,7,13,14,16-hexahydro-8-hydroxy-9-methoxy-4,10,23-trimethyl-19,20-dioxo-, (6R,6aR,7R,13S,14R,16R)- (9CI, ACI);Intermediate A24 of Qubetidine
CAS No.308359-33-3

Synthetic Route by SureRoute

1. ACLAEK331 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACLAEK331 route product structure diagram
    ACLAEK331308359-33-3
Inquiry

2. ACLAEK331 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACLAEK331 route product structure diagram
    ACLAEK331308359-33-3
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