Methyl (1R,2S,3S,3aS,3a1R,4R,6aR,7aR,11aS,11bR)-4-acetoxy-1,2,9-trihydroxy-8,11a-dimethyl-5,10-dioxo-1,4,5,6a,7,7a,10,11,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate

Catalog No. :
ACYTJL849
CAS No. :
25514-29-8
Molecular Formula :
C23H28O11
Molecular Weight :
480.47

IUPAC Name:methyl (1R,2S,3S,3aS,3a1R,4R,6aR,7aR,11aS,11bR)-4-acetoxy-1,2,9-trihydroxy-8,11a-dimethyl-5,10-dioxo-1,4,5,6a,7,7a,10,11,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate

Methyl (1R,2S,3S,3aS,3a1R,4R,6aR,7aR,11aS,11bR)-4-acetoxy-1,2,9-trihydroxy-8,11a-dimethyl-5,10-dioxo-1,4,5,6a,7,7a,10,11,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate structure diagram
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Product Information

Product NameMethyl (1R,2S,3S,3aS,3a1R,4R,6aR,7aR,11aS,11bR)-4-acetoxy-1,2,9-trihydroxy-8,11a-dimethyl-5,10-dioxo-1,4,5,6a,7,7a,10,11,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate
IUPAC Namemethyl (1R,2S,3S,3aS,3a1R,4R,6aR,7aR,11aS,11bR)-4-acetoxy-1,2,9-trihydroxy-8,11a-dimethyl-5,10-dioxo-1,4,5,6a,7,7a,10,11,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate
MDL No.MFCD34469149
Molecular FormulaC23H28O11
Molecular Weight480.47
SMILESO=C([C@@]12[C@@H](O)[C@H](O)[C@@]([C@]3(C)[C@@](C(C)=C(O)C(C3)=O)([H])C[C@@]4([H])O5)([H])[C@]4(CO2)[C@@]1([H])[C@@H](OC(C)=O)C5=O)OC
InChI KeyYDWODLQEUPYKGJ-LZFWDZGBSA-N
SynonymAKOS030573658 | Picras-3-en-21-oic acid, 15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)- | MS-28937 | Q27105981 | HY-N3013 | BRUCEIN B | methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-acetyloxy-10,15,16-tri
CAS No.25514-29-8
PubChem CID161496

Safety Data

Pictogram
Harmful or irritant
Signal Word
Warning
Hazard Statement(s)
H302-H315-H319
Precautionary Statement(s)
P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501

Synthetic Route by SureRoute

1. ACYTJL849 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACYTJL849 route product structure diagram
    ACYTJL84925514-29-8
Inquiry

2. ACYTJL849 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACYTJL849 route product structure diagram
    ACYTJL84925514-29-8
Inquiry

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