atractylenolide I (CAS 73069-13-3) — formula C15H18O2, molecular weight 230.30; category organic chemicals.
atractylenolide I is a carbon-based organic compound with CAS registry number 73069-13-3 and molecular formula C15H18O2 (molecular weight 230.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 73069-13-3
Its molecular formula C15H18O2 comprises 15 C, 18 H, 2 O atoms.
Also known as: atractylenolide I · Atractylenolide-1
Category: organic chemicals
The CAS registry number of atractylenolide I is 73069-13-3.
Molecular formula C15H18O2, molecular weight 230.30.
It is also registered under: atractylenolide I, Atractylenolide-1.
Category: Organic Chemicals.
Public-database records for atractylenolide I (CAS 73069-13-3), reproduced here for independent cross-checking.
| CAS Registry Number | 73069-13-3 |
|---|---|
| PubChem CID | 5321018 |
| 分子式 | C15H18O2 |
| IUPAC 名称 | (4aS,8aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one |
| UNII（FDA） | HMS3886N08 |
Atractylenolide I; 73069-13-3; (4aS,8aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one; DTXSID901316467; 8,9-dehydroasterolide; (4aS,8aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo(f)(1)benzofuran-2-one; RefChem:916456; DTXCID001746314; Atractylenolide-1; AtractylenolideI; Atractylenolide 1; Atractylenolide-I; MFCD09037395; (4aS,8aS)-3,8a-dimethyl-5-methylene-4a,5,6,7,8,8a-hexahydronaphtho[2,3-b]furan-2(4H)-one; CHEMBL449520; Atractylenolide I (Standard)
| 分子量 | 230.30 |
|---|---|
| XLogP3 | 3 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 0 |
| 精确质量 | 230.130679813 |
| 单同位素质量 | 230.130679813 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 17 |
| 形式电荷 | 0 |
atractylenolide I · CAS 73069-13-3 · C15H18O2. UNII HMS3886N08.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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