Account Benzoylpaeoniflorin
- Catalog No. :
- ACUJXR934
- CAS No. :
- 38642-49-8
- Molecular Formula :
- C30H32O12
- Molecular Weight :
- 584.57
IUPAC Name:((2R,3S,4S,5R,6S)-6-(((1aR,1a1S,2R,3aR,5S,5aR)-1a1-((benzoyloxy)methyl)-2-hydroxy-5-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-5a(5H)-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl benzoate
Pack SizePurityList PriceYour PriceGlobal StockUS StockQuantity
10mg99%$50.00Login to see priceIn stockInquiry
25mg99%$84.00Login to see priceIn stockInquiry
50mg99%$122.00Login to see priceIn stockInquiry
100mg99%$157.00Login to see priceIn stockInquiry
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Product Information
| Product Name | Benzoylpaeoniflorin |
|---|---|
| IUPAC Name | ((2R,3S,4S,5R,6S)-6-(((1aR,1a1S,2R,3aR,5S,5aR)-1a1-((benzoyloxy)methyl)-2-hydroxy-5-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-5a(5H)-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl benzoate |
| MDL No. | MFCD00869479 |
| Molecular Formula | C30H32O12 |
| Molecular Weight | 584.57 |
| SMILES | C[C@]12C[C@]3(O[C@](O2)([H])[C@]4(COC(C5=CC=CC=C5)=O)[C@]3(C[C@@]41O[C@@H]6O[C@H](COC(C7=CC=CC=C7)=O)[C@@H](O)[C@H](O)[C@H]6O)[H])O |
| InChI Key | LATYEZNGPQKAIK-HRCYFWENSA-N |
| Synonym | Q27137925 | AC-34005 | s9149 | AS-57134 | CCG-270143 | HMS3886L18 | Benzoylpaeoniflorin | MFCD00869479 | AKOS037645102 | CHEBI:69583 |
| CAS No. | 38642-49-8 |
| PubChem CID | 21631106 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACUJXR934 Molecular Building Block Synthetic Route
![((2S,2aR,2a1S,3aR,4R,5aR)-4-Hydroxy-2-methyl-2a-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexahydro-2H-1,5-dioxa-2,4-methanocyclobuta[cd]pentalen-2a1-yl)methyl benzoate structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/w1az/23180-57-6.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260803%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260803T152346Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%2223180-57-6.png%22&x-id=GetObject&X-Amz-Signature=4775b62606a99a13fcac505276933cb46211e762c579ac48bc6b9d0a8f5613a9)
((2S,2aR,2a1S,3aR,4R,5aR)-4-Hydroxy-2-methyl-2a-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexahydro-2H-1,5-dioxa-2,4-methanocyclobuta[cd]pentalen-2a1-yl)methyl benzoate
((1aR,1a1S,2R,3aR,5S,5aR)-2-hydroxy-5-methyl-5a-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-1a1(3aH)-yl)methyl benzoate
(5a-((3-(benzoyloxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-hydroxy-5-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-1a1(3aH)-yl)methyl benzoate