methyl (S)-2-((2R,3aS,3a1S,4S,4aR,4a1S,6aS,7S,10aR,11aR,12R)-7-(furan-3-yl)-3a,4a1,11a-trihydroxy-2,4,6a-trimethyl-1,9-dioxotetradecahydro-1H-2,4-methanoindeno[7,1,2-bcd]pyrano[3,4-h]benzofuran-12-yl)-2-hydroxyacetate

Catalog No. :
ACYBRF796
CAS No. :
1189801-51-1
Molecular Formula :
C27H32O11
Molecular Weight :
532.54

IUPAC Name:methyl (S)-2-((2R,3aS,3a1S,4S,4aR,4a1S,6aS,7S,10aR,11aR,12R)-7-(furan-3-yl)-3a,4a1,11a-trihydroxy-2,4,6a-trimethyl-1,9-dioxotetradecahydro-1H-2,4-methanoindeno[7,1,2-bcd]pyrano[3,4-h]benzofuran-12-yl)-2-hydroxyacetate

methyl (S)-2-((2R,3aS,3a1S,4S,4aR,4a1S,6aS,7S,10aR,11aR,12R)-7-(furan-3-yl)-3a,4a1,11a-trihydroxy-2,4,6a-trimethyl-1,9-dioxotetradecahydro-1H-2,4-methanoindeno[7,1,2-bcd]pyrano[3,4-h]benzofuran-12-yl)-2-hydroxyacetate structure diagram
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Product Information

Product Namemethyl (S)-2-((2R,3aS,3a1S,4S,4aR,4a1S,6aS,7S,10aR,11aR,12R)-7-(furan-3-yl)-3a,4a1,11a-trihydroxy-2,4,6a-trimethyl-1,9-dioxotetradecahydro-1H-2,4-methanoindeno[7,1,2-bcd]pyrano[3,4-h]benzofuran-12-yl)-2-hydroxyacetate
IUPAC Namemethyl (S)-2-((2R,3aS,3a1S,4S,4aR,4a1S,6aS,7S,10aR,11aR,12R)-7-(furan-3-yl)-3a,4a1,11a-trihydroxy-2,4,6a-trimethyl-1,9-dioxotetradecahydro-1H-2,4-methanoindeno[7,1,2-bcd]pyrano[3,4-h]benzofuran-12-yl)-2-hydroxyacetate
MDL No.MFCD20261053
Molecular FormulaC27H32O11
Molecular Weight532.54
SMILESCOC(=O)[C@@H](O)[C@@H]1[C@@]2(C)[C@H]3CC[C@@]4(C)[C@H](C5=COC=C5)OC(=O)C[C@@]45O[C@@]4(O)C(=O)[C@]1(C)C[C@]2(O)[C@H]4[C@@]35O
InChI KeyZDUBHZUNBSRUQC-UVQHVSCZSA-N
Synonym1-O-DEACETYL-2Α-HYDROXYKHAYANOLI;1-O-Deacetyl-2alpha-hydroxykhayalide E;1-O-Deacetyl-2alpha-hydroxykhayanolide E;1-O-Deacetyl-2α-hydroxykhayanolide E;8,10-Methano-7H-pentaleno[1,2,3-cd]pyrano[3,4-h]benzofuran-7-acetic acid, 4-(3-furanyl)tetradecahydro-α,9a,10,11b-tetrahydroxy-4a,6b,8-trimethyl-2,12-dioxo-, methyl ester, (4S,4aS,6aR,6bS,7R,8R,9aS,9bS,10R,11aR,11bS)-;1-O-Deacetyl-2α-hydroxykhayanolideE
CAS No.1189801-51-1

Synthetic Route by SureRoute

1. ACYBRF796 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACYBRF796 route product structure diagram
    ACYBRF7961189801-51-1
Inquiry

2. ACYBRF796 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACYBRF796 route product structure diagram
    ACYBRF7961189801-51-1
Inquiry

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