Account Paeoniflorin sulfite
- Catalog No. :
- ACPILU434
- CAS No. :
- 1146967-98-7
- Molecular Formula :
- C23H28O13S
- Molecular Weight :
- 544.53
IUPAC Name:((1aR,1a1S,2S,3aR,5S,5aR)-5-methyl-2-(sulfinooxy)-5a-(((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
Pack SizePurityList PriceYour PriceGlobal StockUS StockQuantity
5mg98%$112.00Login to see priceIn stockInquiry
10mg98%$170.00Login to see priceIn stockInquiry
25mg98%$289.00Login to see priceIn stockInquiry
50mg98%$491.00Login to see priceIn stockInquiry
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Product Information
| Product Name | Paeoniflorin sulfite |
|---|---|
| IUPAC Name | ((1aR,1a1S,2S,3aR,5S,5aR)-5-methyl-2-(sulfinooxy)-5a-(((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 |
| Molecular Formula | C23H28O13S |
| Molecular Weight | 544.53 |
| SMILES | C[C@@]12C[C@@]3(OS(=O)O)O[C@@H](O1)[C@]1(COC(=O)C4=CC=CC=C4)[C@H]3C[C@@]12O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI Key | VOLJTHZHUMLHDS-HEQFYZJVSA-N |
| Synonym | Paeoniflorin sulfite;β-D-Glucopyranoside, (1aR,2S,3aR,5S,5aR,5bS)-5b-[(benzoyloxy)methyl]tetrahydro-2-methyl-5-(sulfinooxy)-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl |
| CAS No. | 1146967-98-7 |
| PubChem CID | 154831786 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P264-P270-P301+P312-P330-P501
Synthetic Route by SureRoute
2. ACPILU434 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%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)
((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
Benzoylpaeoniflorin