(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-4,5-Dihydroxy-2-(((3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Catalog No. :
ACTBLR842
CAS No. :
494753-69-4
Molecular Formula :
C42H70O12
Molecular Weight :
767.01

IUPAC Name:(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-4,5-dihydroxy-2-(((3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-4,5-Dihydroxy-2-(((3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol structure diagram
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Product Information

Product Name(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-4,5-Dihydroxy-2-(((3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
IUPAC Name(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-4,5-dihydroxy-2-(((3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Molecular FormulaC42H70O12
Molecular Weight767.01
SMILESO[C@H]1[C@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@@]5([H])C[C@@H](O)[C@]6([H])[C@@H](C(CCC=C(C)C)=C)CC[C@@]6(C)[C@]5(C)CC[C@@]4([H])C3(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChI KeyKWDWBAISZWOAHD-MHOSXIPRSA-N
Synonym(3β, 12β)-12-Hydroxydammara-20,24-dien-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
CAS No.494753-69-4
PubChem CID11499198

Safety Data

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

Synthetic Route by SureRoute

1. ACTBLR842 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACTBLR842 route product structure diagram
    ACTBLR842494753-69-4
Inquiry

2. ACTBLR842 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACTBLR842 route product structure diagram
    ACTBLR842494753-69-4
Inquiry

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