(2S,3R,4S,5R)-3,5-Dihydroxy-2-(((2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-4-hydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyl-7-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-9-yl)oxy)tetrahydro-2H-pyran-4-yl acetate

Catalog No. :
ACCEIH381
CAS No. :
86764-11-6
Molecular Formula :
C43H70O15
Molecular Weight :
827.02

IUPAC Name:(2S,3R,4S,5R)-3,5-dihydroxy-2-(((2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-4-hydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyl-7-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-9-yl)oxy)tetrahydro-2H-pyran-4-yl acetate

(2S,3R,4S,5R)-3,5-Dihydroxy-2-(((2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-4-hydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyl-7-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-9-yl)oxy)tetrahydro-2H-pyran-4-yl acetate structure diagram
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Product Information

Product Name(2S,3R,4S,5R)-3,5-Dihydroxy-2-(((2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-4-hydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyl-7-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-9-yl)oxy)tetrahydro-2H-pyran-4-yl acetate
IUPAC Name(2S,3R,4S,5R)-3,5-dihydroxy-2-(((2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-4-hydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyl-7-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-9-yl)oxy)tetrahydro-2H-pyran-4-yl acetate
MDL No.-
Molecular FormulaC43H70O15
Molecular Weight827.02
SMILESO[C@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)[C@@H]1O[C@@H]2[C@@]3([H])C(C)(C)[C@@H](O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)OC(C)=O)O)CC[C@]3(C5)[C@]65CC[C@]7(C)[C@]([C@](C)(O8)CC[C@H]8C(C)(O)C)([H])[C@@H](O)C[C@](C)7[C@]6([H])C2
InChI KeySMZYCXAYGPGYRS-NGTUZWGPSA-N
SynonymIsoastragaloside II, BR;Isoastragalosides II;Isoastragaloside II;IsoastragalosideⅡ;Astrasieversianin VII;Isoastragaloside II (Astrasieversianin-VII);β-D-Glucopyranoside, (3β,6α,16β,20R,24S)-3-[(3-O-acetyl-β-D-xylopyranosyl)oxy]-20,24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl;Balofloxacin Impurity 6
CAS No.86764-11-6
PubChem CID60148655

Safety Data

Pictogram
Harmful or irritant
Signal Word
Warning
Hazard Statement(s)
H315-H319-H335
Precautionary Statement(s)
P261-P305+P351+P338

Synthetic Route by SureRoute

1. ACCEIH381 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACCEIH381 route product structure diagram
    ACCEIH38186764-11-6
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2. ACCEIH381 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. ACCEIH381 route product structure diagram
    ACCEIH38186764-11-6
Inquiry

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