(3S,4aS,6aS,6bS,8aR,9S,9aS,12S,15aS,15bR,16aS,16bR)-9-Hydroxy-9,12,16b-trimethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)docosahydrobenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinolin-5(15bH)-one

Catalog No. :
ACAINL437
CAS No. :
67968-40-5
Molecular Formula :
C33H53NO8
Molecular Weight :
591.79

IUPAC Name:(3S,4aS,6aS,6bS,8aR,9S,9aS,12S,15aS,15bR,16aS,16bR)-9-hydroxy-9,12,16b-trimethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)docosahydrobenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinolin-5(1H)-one

(3S,4aS,6aS,6bS,8aR,9S,9aS,12S,15aS,15bR,16aS,16bR)-9-Hydroxy-9,12,16b-trimethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)docosahydrobenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinolin-5(15bH)-one structure diagram
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Product Information

Product Name(3S,4aS,6aS,6bS,8aR,9S,9aS,12S,15aS,15bR,16aS,16bR)-9-Hydroxy-9,12,16b-trimethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)docosahydrobenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinolin-5(15bH)-one
IUPAC Name(3S,4aS,6aS,6bS,8aR,9S,9aS,12S,15aS,15bR,16aS,16bR)-9-hydroxy-9,12,16b-trimethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)docosahydrobenzo[4,5]indeno[1,2-h]pyrido[1,2-b]isoquinolin-5(1H)-one
MDL No.-
Molecular FormulaC33H53NO8
Molecular Weight591.79
SMILES[H][C@]12[C@]3([H])CC([C@@]4([H])C[C@@H](O[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O)CC[C@]4(C)[C@@]3([H])C[C@]([H])1[C@]6([H])CN7C[C@@H](C)CC[C@]([H])7[C@@](C)(O)[C@@]([H])6CC2)=O
InChI KeyDHQFYEJMFMYGCV-DLJWJMOOSA-N
SynonymImperialine Impurity 1 (Imperialine 3-β-D-Glucoside);Imperialine 3-β-D-Glucoside;Sipeimine-3-β-D-glucoside;Zhebeinonoside;inhibit,Inhibitor,Imperialine 3 β D glucoside,Imperialine 3βDglucoside;Cevan-6-one, 3-(β-D-glucopyranosyloxy)-20-hydroxy-, (3β,5α,17β)-;Cevan-6-one, 3-(b-D-glucopyranosyloxy)-20-hydroxy-, (3b,5a,17b)-;Imperialine Impurity
CAS No.67968-40-5
PubChem CID132538

Safety Data

Pictogram
Harmful or irritant
Signal Word
Warning
Hazard Statement(s)
H302-H315-H319-H335
Precautionary Statement(s)
P261-P280-P301+P312-P302+P352-P305+P351+P338

Synthetic Route by SureRoute

1. ACAINL437 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACAINL437 route product structure diagram
    ACAINL43767968-40-5
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2. ACAINL437 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACAINL437 route product structure diagram
    ACAINL43767968-40-5
Inquiry

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