≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
4′-Acetyl Simvastatin is a simvastatin impurity.
| Pubchem Sid | 504766757 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504766757 |
| 정식 스마일 | CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)OC(=O)C)C |
| IUPAC Name | [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-acetyloxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate |
| InChIKey | OHVWRJDVJRNCPE-BIKFJBPRSA-N |
| INCHI | 1S/C27H40O6/c1-7-27(5,6)26(30)33-23-13-16(2)12-19-9-8-17(3)22(25(19)23)11-10-20-14-21(31-18(4)28)15-24(29)32-20/h8-9,12,16-17,20-23,25H,7,10-11,13-15H2,1-6H3/t16-,17-,20+,21+,22-,23-,25-/m0/s1 |
| 이성체 SMILES | CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)OC(=O)C)C |
| PubChem CID | 11812557 |
| 분자량 | 460.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| 분류 | Carboxylic acids and derivatives |
| Subclass | Tricarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tricarboxylic acids and derivatives |
| Alternative Parents | Fatty acid esters Delta valerolactones Oxanes Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Tricarboxylic acid or derivatives - Delta valerolactone - Fatty acid ester - Delta_valerolactone - Oxane - Fatty acyl - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 날짜 | 항목 |
|---|---|---|---|
 A2307204 | Certificate of Analysis | Sep 06, 2022 | A347288 |
| A2307205 | Certificate of Analysis | Sep 06, 2022 | A347288 |
| A2307206 | Certificate of Analysis | Sep 06, 2022 | A347288 |
| A2307214 | Certificate of Analysis | Sep 06, 2022 | A347288 |
| A2307216 | Certificate of Analysis | Sep 06, 2022 | A347288 |
| A2307224 | Certificate of Analysis | Sep 06, 2022 | A347288 |
| C2524014 | Certificate of Analysis | Sep 06, 2022 | A347288 |
| 용해성 | Acetonitrile (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly), Methan |
|---|---|
| 감도 | Hygroscopic |
| 분자량 | 460.600 g/mol |
| XLogP3 | 5.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 460.282 Da |
| Monoisotopic Mass | 460.282 Da |
| Topological Polar Surface Area | 78.900 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 809.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
