methyl (1aR,1bS,2S,5aR,6R,6aS)-5a,6-dihydroxy-1a-methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-5-carboxylate

Catalog No. :
ACOTOX841
CAS No. :
117479-87-5
Molecular Formula :
C17H24O12
Molecular Weight :
420.37

IUPAC Name:methyl (1aR,1bS,2S,5aR,6R,6aS)-5a,6-dihydroxy-1a-methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-5-carboxylate

methyl (1aR,1bS,2S,5aR,6R,6aS)-5a,6-dihydroxy-1a-methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-5-carboxylate structure diagram
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Product Information

Product Namemethyl (1aR,1bS,2S,5aR,6R,6aS)-5a,6-dihydroxy-1a-methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-5-carboxylate
IUPAC Namemethyl (1aR,1bS,2S,5aR,6R,6aS)-5a,6-dihydroxy-1a-methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-5-carboxylate
MDL No.-
Molecular FormulaC17H24O12
Molecular Weight420.37
SMILESCOC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@]3(C)O[C@H]3[C@@H](O)[C@]12O
InChI KeyXZVXEPPPQBLGMQ-HISQCTEXSA-N
SynonymDTXSID00922430 | s9405 | 3-HYDROXYHEXADECANOICACIDMETHYLESTER | CS-0008942 | MS-27371 | methyl (1S,2R,4S,5R,6R,10S)-5,6-dihydroxy-2-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carbox
CAS No.117479-87-5
PubChem CID3082856

Synthetic Route by SureRoute

1. ACOTOX841 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACOTOX841 route product structure diagram
    ACOTOX841117479-87-5
Inquiry

2. ACOTOX841 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACOTOX841 route product structure diagram
    ACOTOX841117479-87-5
Inquiry

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