benzoyloxypaeoniflorin (CAS 72896-40-3) — formula C30H32O13, molecular weight 600.6; category organic chemicals.
| CAS Number | 72896-40-3 |
|---|---|
| Molecular Formula | C30H32O13 |
| Molecular Weight | 600.6 |
| LogP | 0.3 |
| Category | Organic Chemicals |
benzoyloxypaeoniflorin is a carbon-based organic compound with CAS registry number 72896-40-3 and molecular formula C30H32O13 (molecular weight 600.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 72896-40-3
Its molecular formula C30H32O13 comprises 30 C, 32 H, 13 O atoms.
Also known as: benzoyloxypaeoniflorin · 苯甲酰氧化芍药苷
Category: organic chemicals
The CAS registry number of benzoyloxypaeoniflorin is 72896-40-3.
Molecular formula C30H32O13, molecular weight 600.6.
It is also registered under: benzoyloxypaeoniflorin, 苯甲酰氧化芍药苷.
Category: Organic Chemicals.
Independent reference data for benzoyloxypaeoniflorin (CAS 72896-40-3), compiled from public chemistry databases.
| CAS 号 | 72896-40-3 |
|---|---|
| PubChem CID | 21631107 |
| 分子式 | C30H32O13 |
| IUPAC 名称 | [(1R,2S,3R,5R,6R,8S)-3-[(2S,3R,4S,5S,6R)-6-(benzoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate |
| UNII（FDA） | NS00093952 |
| Molecular Weight | 600.6 |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 10 |
| Exact Mass | 600.18429107 |
| Monoisotopic Mass | 600.18429107 |
| Topological Polar Surface Area | 191 |
| Heavy Atom Count | 43 |
Benzoyloxypaeoniflorin; 72896-40-3; DTXSID501314538; benzoyloxy-paeoniflorin; RefChem:916978; DTXCID401744358; Benzoyloxypeoniflorin; beta-benzoyloxypaeoniflorin; beta-6'-benzoyloxypaeoniflorin; orb1302308; beta-oxypaeoniflorin 6'-benzoate; CHEBI:132791; HY-N2101; MSK168542; AKOS040758659; EBC-616908
苯甲酰氧化芍药苷 · CAS 72896-40-3 · C30H32O13. UNII NS00093952.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 苯甲酰氧化芍药苷