Account ((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
- Catalog No. :
- ACHUPD017
- CAS No. :
- 23180-57-6
- Molecular Formula :
- C23H28O11
- Molecular Weight :
- 480.47
IUPAC Name:((1aR,1a1S,2S,3aR,5R,5aR)-5-hydroxy-2-methyl-1a-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-1a1(3aH)-yl)methyl benzoate
![((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%2F20260801%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260801T150159Z&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=dfb4144dc82aff675fd0b2ae341a48e59d69533c515ce16e83a93a0efb89849d)
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Product Information
| Product Name | ((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 |
|---|---|
| IUPAC Name | ((1aR,1a1S,2S,3aR,5R,5aR)-5-hydroxy-2-methyl-1a-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-1a1(3aH)-yl)methyl benzoate |
| MDL No. | MFCD00869331 |
| Molecular Formula | C23H28O11 |
| Molecular Weight | 480.47 |
| SMILES | O[C@H]1[C@H](O)[C@@H](O)[C@]([H])(O[C@]2([C@@]3(C)O[C@]4([H])O[C@@]5(C3)O)C[C@]5([H])[C@]24COC(C6=CC=CC=C6)=O)O[C@@H]1CO |
| InChI Key | YKRGDOXKVOZESV-WRJNSLSBSA-N |
| Synonym | AB01566855_01 | ((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)methylbenzoate | Q-100296 | SCHEMBL549033 | Q7124104 | . |
| CAS No. | 23180-57-6 |
| PubChem CID | 442534 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P280-P305+P351+P338
Synthetic Route by SureRoute
2. ACHUPD017 Molecular Building Block Synthetic Route
![((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 structure diagram](/images/productimg/no-pic.svg)
((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
Benzoylpaeoniflorin
((1aR,1a1S,2R,3aR,5S,5aR)-2,5a-dihydroxy-5-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-1a1(3aH)-yl)methyl benzoate