Bruceantin (CAS 41451-75-6) — formula C28H36O11, molecular weight 548.6; category organic chemicals.
| CAS Number | 41451-75-6 |
|---|---|
| Molecular Formula | C28H36O11 |
| Molecular Weight | 548.6 |
| LogP | 1.7 |
| Category | Organic Chemicals |
Bruceantin is a carbon-based organic compound with CAS registry number 41451-75-6 and molecular formula C28H36O11 (molecular weight 548.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 41451-75-6
Its molecular formula C28H36O11 comprises 28 C, 36 H, 11 O atoms.
Also known as: Bruceantin · 鸦胆子油
Category: organic chemicals
The CAS registry number of Bruceantin is 41451-75-6.
Molecular formula C28H36O11, molecular weight 548.6.
It is also registered under: Bruceantin, 鸦胆子油.
Category: Organic Chemicals.
Independent reference data for Bruceantin (CAS 41451-75-6), compiled from public chemistry databases.
| CAS 号 | 41451-75-6 |
|---|---|
| PubChem CID | 5281304 |
| 分子式 | C28H36O11 |
| IUPAC 名称 | methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-[(E)-3,4-dimethylpent-2-enoyl]oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate |
| UNII（FDA） | S3NW88DI4T |
| Molecular Weight | 548.6 |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 6 |
| Exact Mass | 548.22576196 |
| Monoisotopic Mass | 548.22576196 |
| Topological Polar Surface Area | 166 |
| Heavy Atom Count | 39 |
BRUCEANTIN; 41451-75-6; NSC-165563; S3NW88DI4T; NSC165563; DTXSID701024969; NCI-165563; RefChem:121727; DTXCID201510197; 2H-3, 11c-(Epoxymethano)phenanthro(10,1-bc)pyran, Picras-3-en-21-oic Acid Derivative; (-)-Bruceantin; Bruceantine; NSC 165563; Bruceantin(NSC165563); MLS002703020; MFCD00866510
鸦胆子油 · CAS 41451-75-6 · C28H36O11. UNII S3NW88DI4T.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 鸦胆子油