paeoniflorigenone (CAS 80454-42-8) — formula C17H18O6, molecular weight 318.32; category organic chemicals.
| CAS Number | 80454-42-8 |
|---|---|
| Molecular Formula | C17H18O6 |
| Molecular Weight | 318.32 |
| LogP | 0.8 |
| Category | Organic Chemicals |
paeoniflorigenone is a carbon-based organic compound with CAS registry number 80454-42-8 and molecular formula C17H18O6 (molecular weight 318.32), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 80454-42-8
Its molecular formula C17H18O6 comprises 17 C, 18 H, 6 O atoms.
Also known as: paeoniflorigenone · 芍药苷元酮
Category: organic chemicals
The CAS registry number of paeoniflorigenone is 80454-42-8.
Molecular formula C17H18O6, molecular weight 318.32.
It is also registered under: paeoniflorigenone, 芍药苷元酮.
Category: Organic Chemicals.
Independent reference data for paeoniflorigenone (CAS 80454-42-8), compiled from public chemistry databases.
| CAS 号 | 80454-42-8 |
|---|---|
| PubChem CID | 133475 |
| 分子式 | C17H18O6 |
| IUPAC 名称 | [(1S,3R,6S,8S,10S)-8-hydroxy-3-methyl-5-oxo-2,9-dioxatricyclo[4.3.1.03,8]decan-10-yl]methyl benzoate |
| Molecular Weight | 318.32 |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 318.11033829 |
| Monoisotopic Mass | 318.11033829 |
| Topological Polar Surface Area | 82.1 |
| Heavy Atom Count | 23 |
Paeoniflorigenone; 80454-42-8; [(1S,3R,6S,8S,10S)-8-hydroxy-3-methyl-5-oxo-2,9-dioxatricyclo[4.3.1.03,8]decan-10-yl]methyl benzoate; CHEBI:132788; ((1S,3R,6S,8S,10S)-8-hydroxy-3-methyl-5-oxo-2,9-dioxatricyclo(4.3.1.03,8)decan-10-yl)methyl benzoate; RefChem:169579; CHEMBL1077668; SCHEMBL31146842; DTXSID201001249; BDBM50378697; (3a-Hydroxy-7a-methyl-6-oxohexahydro-2H-2,5-methano-1,3-benzodioxol-8-yl)methyl benzoate; [(2S,3aS,5S,7aR,8S)-3a-Hydroxy-7a-methyl-6-oxohexahydro-2H-2,5-methano-1,3-benzodioxol-8-yl]methyl benzoate
芍药苷元酮 · CAS 80454-42-8 · C17H18O6.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 芍药苷元酮