Trigonothyrin C

Catalog No. :
ACLIYT026
CAS No. :
1203471-31-1
Molecular Formula :
C38H42O11
Molecular Weight :
674.74

IUPAC Name:(2S,3S,3aR,4R,5R,6S,6aS,7R,7aS,9R,10aS,11R,11aR,11bS)-3-acetoxy-11a-hydroxy-2,5,9,11-tetramethyl-7a-(prop-1-en-2-yl)dodecahydro-1H-3a,5:7,9-diepoxyazuleno[4',5':4,5]benzo[1,2-d][1,3]dioxole-4,6-diyl dibenzoate

Trigonothyrin C structure diagram
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Product Information

Product NameTrigonothyrin C
IUPAC Name(2S,3S,3aR,4R,5R,6S,6aS,7R,7aS,9R,10aS,11R,11aR,11bS)-3-acetoxy-11a-hydroxy-2,5,9,11-tetramethyl-7a-(prop-1-en-2-yl)dodecahydro-1H-3a,5:7,9-diepoxyazuleno[4',5':4,5]benzo[1,2-d][1,3]dioxole-4,6-diyl dibenzoate
Molecular FormulaC38H42O11
Molecular Weight674.74
SMILESO(C(=O)C1=CC=CC=C1)[C@H]2[C@]34[C@]([C@]5(O)[C@@]([C@H](OC(=O)C6=CC=CC=C6)[C@@]2(C)O3)([C@@]7([C@]8(C(C)=C)[C@]([C@H]5C)(O[C@](C)(O7)O8)[H])[H])[H])(C[C@H](C)[C@@H]4OC(C)=O)[H]
InChI KeyUJPINYTVMSLKRV-MEQHYWJYSA-N
SynonymTrigonothyrin C;7,9-Epoxy-3a,5-methano-3aH-cyclopenta[a][1,3]dioxolo[4,5-h][3]benzoxepin-3,6,11a,13(5H)-tetrol, decahydro-2,5,9,11-tetramethyl-7a-(1-methylethenyl)-, 3-acetate 6,13-dibenzoate, (2S,3S,3aR,5R,6S,6aS,7R,7aS,9R,10aS,11R,11aR,11bS,13R)-
CAS No.1203471-31-1

Synthetic Route by SureRoute

1. ACLIYT026 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACLIYT026 route product structure diagram
    ACLIYT0261203471-31-1
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2. ACLIYT026 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACCZIU451 route compound structure diagram
    ACCZIU451563-67-7 In Stock
  4. Then
  5. ACLIYT026 route product structure diagram
    ACLIYT0261203471-31-1
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