3-[2-[(1R,4aβ)-2-Methylene-5α-(hydroxymethyl)-5,8aα-dimethyl-6α-hydroxydecalin-1α-yl]ethyl]-2,5-dihydrofuran-2-one (CAS 4176-97-0) — formula C20H30O4, molecular weight 334.4; category organic chemicals.
| CAS Number | 4176-97-0 |
|---|---|
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.4 |
| LogP | 3.4 |
| Category | Organic Chemicals |
3-[2-[(1R,4aβ)-2-Methylene-5α-(hydroxymethyl)-5,8aα-dimethyl-6α-hydroxydecalin-1α-yl]ethyl]-2,5-dihydrofuran-2-one is a carbon-based organic compound with CAS registry number 4176-97-0 and molecular formula C20H30O4 (molecular weight 334.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4176-97-0
Its molecular formula C20H30O4 comprises 20 C, 30 H, 4 O atoms.
Also known as: 3-[2-[(1R,4aβ)-2-Methylene-5α-(hydroxymethyl)-5,8aα-dimethyl-6α-hydroxydecalin-1α-yl]ethyl]-2,5-dihydrofuran-2-one · 14-去氧穿心莲内酯
Category: organic chemicals
The CAS registry number of 3-[2-[(1R,4aβ)-2-Methylene-5α-(hydroxymethyl)-5,8aα-dimethyl-6α-hydroxydecalin-1α-yl]ethyl]-2,5-dihydrofuran-2-one is 4176-97-0.
Molecular formula C20H30O4, molecular weight 334.4.
It is also registered under: 3-[2-[(1R,4aβ)-2-Methylene-5α-(hydroxymethyl)-5,8aα-dimethyl-6α-hydroxydecalin-1α-yl]ethyl]-2,5-dihydrofuran-2-one, 14-去氧穿心莲内酯.
Category: Organic Chemicals.
Independent reference data for 3-[2-[(1R,4aβ)-2-Methylene-5α-(hydroxymethyl)-5,8aα-dimethyl-6α-hydroxydecalin-1α-yl]ethyl]-2,5-dihydrofuran-2-one (CAS 4176-97-0), compiled from public chemistry databases.
| CAS 号 | 4176-97-0 |
|---|---|
| PubChem CID | 11624161 |
| 分子式 | C20H30O4 |
| IUPAC 名称 | 4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one |
| UNII（FDA） | WLN91FAQ6Z |
| Molecular Weight | 334.4 |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 334.21440943 |
| Monoisotopic Mass | 334.21440943 |
| Topological Polar Surface Area | 66.8 |
| Heavy Atom Count | 24 |
14-deoxyandrographolide; 4176-97-0; WLN91FAQ6Z; NP-011179; AD-04130-4; DTXSID80904638; RefChem:919869; DTXCID201333757; Deoxyandrographolide; UNII-WLN91FAQ6Z; 14-deoxy-andrographolide; CHEMBL415768; orb1299063; orb3139107; SCHEMBL25845533; HY-N4323R
14-去氧穿心莲内酯 · CAS 4176-97-0 · C20H30O4. UNII WLN91FAQ6Z.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 14-去氧穿心莲内酯