simarolide (CAS 1260-58-8) — formula C27H36O9, molecular weight 504.6; category organic chemicals.
| CAS Number | 1260-58-8 |
|---|---|
| Molecular Formula | C27H36O9 |
| Molecular Weight | 504.6 |
| LogP | 1.6 |
| Category | Organic Chemicals |
simarolide is a carbon-based organic compound with CAS registry number 1260-58-8 and molecular formula C27H36O9 (molecular weight 504.6), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1260-58-8
Its molecular formula C27H36O9 comprises 27 C, 36 H, 9 O atoms.
Also known as: simarolide · 西马洛内酯
Category: organic chemicals
The CAS registry number of simarolide is 1260-58-8.
Molecular formula C27H36O9, molecular weight 504.6.
It is also registered under: simarolide, 西马洛内酯.
Category: Organic Chemicals.
Independent reference data for simarolide (CAS 1260-58-8), compiled from public chemistry databases.
| CAS 号 | 1260-58-8 |
|---|---|
| PubChem CID | 3081377 |
| 分子式 | C27H36O9 |
| IUPAC 名称 | [(1S,2S,4S,6R,7S,9R,13R,14R,16R,17S)-4-hydroxy-2,6,14,17-tetramethyl-3,11-dioxo-14-[(3R)-5-oxooxolane-3-carbonyl]-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] acetate |
| UNII（FDA） | SIMAROLIDE |
| Molecular Weight | 504.6 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 504.23593272 |
| Monoisotopic Mass | 504.23593272 |
| Topological Polar Surface Area | 133 |
| Heavy Atom Count | 36 |
SIMAROLIDE; 1260-58-8; RefChem:183068; DTXSID10925351; NSC320953; NSC-320953; 2-Hydroxy-1,16-dioxo-13-(5-oxooxolane-3-carbonyl)picrasan-11-yl acetate; 2alpha-Hydroxy-1,16-dioxo-13-[(3R)-5-oxooxolane-3-carbonyl]picrasan-11alpha-yl acetate
西马洛内酯 · CAS 1260-58-8 · C27H36O9. UNII SIMAROLIDE.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 西马洛内酯