Acetylaconitine (CAS 77181-26-1) — formula C36H49NO12, molecular weight 687.8; category organic chemicals.
| CAS Number | 77181-26-1 |
|---|---|
| Molecular Formula | C36H49NO12 |
| Molecular Weight | 687.8 |
| LogP | 0.9 |
| Category | Organic Chemicals |
Acetylaconitine is a carbon-based organic compound with CAS registry number 77181-26-1 and molecular formula C36H49NO12 (molecular weight 687.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 77181-26-1
Its molecular formula C36H49NO12 comprises 36 C, 49 H, 1 N, 12 O atoms.
Also known as: Acetylaconitine · 乙酰乌头碱
Category: organic chemicals
The CAS registry number of Acetylaconitine is 77181-26-1.
Molecular formula C36H49NO12, molecular weight 687.8.
It is also registered under: Acetylaconitine, 乙酰乌头碱.
Category: Organic Chemicals.
Independent reference data for Acetylaconitine (CAS 77181-26-1), compiled from public chemistry databases.
| CAS Registry Number | 77181-26-1 |
|---|---|
| PubChem CID | 53595 |
| Molecular formula | C36H49NO12 |
| IUPAC name | [(2R,3R,5R,6S,8R,10R,17S)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate |
| Molecular Weight | 687.8 |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 13 |
| Exact Mass | 687.32547600 |
| Monoisotopic Mass | 687.32547600 |
| Topological Polar Surface Area | 160 |
| Heavy Atom Count | 49 |
Aconitine 3-acetate; Aconitine 3-monoacetate; UNII-N8Y4AH95JL
Acetylaconitine · CAS 77181-26-1 · C36H49NO12.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 乙酰乌头碱