(1R,2S,3R,4S,4aS,8aR)-4-((S)-1-acetoxy-2-(4-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl)-3-hydroxy-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene-1,2-diyl dinicotinate

Catalog No. :
ACIJMC501
CAS No. :
1312716-26-9
Molecular Formula :
C34H38N2O10
Molecular Weight :
634.68

IUPAC Name:(1R,2S,3R,4S,4aS,8aR)-4-((S)-1-acetoxy-2-(4-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl)-3-hydroxy-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene-1,2-diyl dinicotinate

(1R,2S,3R,4S,4aS,8aR)-4-((S)-1-acetoxy-2-(4-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl)-3-hydroxy-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene-1,2-diyl dinicotinate structure diagram
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Product Information

Product Name(1R,2S,3R,4S,4aS,8aR)-4-((S)-1-acetoxy-2-(4-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl)-3-hydroxy-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene-1,2-diyl dinicotinate
IUPAC Name(1R,2S,3R,4S,4aS,8aR)-4-((S)-1-acetoxy-2-(4-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl)-3-hydroxy-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene-1,2-diyl dinicotinate
Molecular FormulaC34H38N2O10
Molecular Weight634.68
SMILESCC(=O)O[C@@H](CC1=C(O)C(=O)OC1)[C@]1(C)[C@H]2CCC=C(C)[C@]2(C)[C@@H](OC(=O)C2=CN=CC=C2)[C@H](OC(=O)C2=CN=CC=C2)[C@]1(C)O
InChI KeyLOVZWLNTNWLURP-NCDJTCFZSA-N
SynonymScutebarbatine X;3-Pyridinecarboxylic acid, 3,3'-[(1R,2S,3R,4S,4aS,8aR)-4-[(1S)-1-(acetyloxy)-2-(2,5-dihydro-4-hydroxy-5-oxo-3-furanyl)ethyl]-1,2,3,4,4a,5,6,8a-octahydro-3-hydroxy-3,4,8,8a-tetramethyl-1,2-naphthalenediyl] ester
CAS No.1312716-26-9

Synthetic Route by SureRoute

1. ACIJMC501 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACIJMC501 route product structure diagram
    ACIJMC5011312716-26-9
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2. ACIJMC501 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. ACIJMC501 route product structure diagram
    ACIJMC5011312716-26-9
Inquiry

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