≥95%(LC/MS-ELSD) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| パブケム・シド | 528775094 |
|---|---|
| カノニカル・スマイル | CC12CC(C3CC1(C3(C(=O)O2)COC(=O)C4=CC=CC=C4)OC5C(C(C(C(O5)CO)O)O)O)O |
| IUPAC Name | [(1R,3R,4R,6S,9S)-4-hydroxy-6-methyl-8-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate |
| InChIKey | QQUHMASGPODSIW-ICECTASOSA-N |
| INCHI | 1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3/t12-,13+,14+,15+,16-,17+,19-,21-,22-,23-/m0/s1 |
| 異性体SMILES | C[C@]12C[C@H]([C@@H]3C[C@]1([C@@]3(C(=O)O2)COC(=O)C4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O |
| WGKドイツ | 3 |
| 分子量 | 480.46 |
| Reaxy-Rn | 37857350 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37857350&ln= |
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 | Lipids and lipid-like molecules |
| 分類 | Prenol lipids |
| Subclass | Terpene glycosides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Terpene glycosides |
| Alternative Parents | Terpene lactones Hexoses O-glycosyl compounds Bicyclic monoterpenoids Benzoic acid esters Aromatic monoterpenoids Benzoyl derivatives Oxepanes Dicarboxylic acids and derivatives Gamma butyrolactones Oxanes Tetrahydrofurans Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Acetals Polyols Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Terpene glycoside - Terpene lactone - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Aromatic monoterpenoid - Benzoate ester - Pinane monoterpenoid - Nopinane monoterpenoid - Monoterpenoid - Benzoic acid or derivatives - Benzoyl - Caprolactone - Oxepane - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Gamma butyrolactone - Monosaccharide - Oxane - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - Lactone - Carboxylic acid ester - Polyol - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - Alcohol - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 日付 | 商品 |
|---|---|---|---|
 K2406096 | Certificate of Analysis | Aug 03, 2026 | A138782 |
| H2218304 | Certificate of Analysis | Mar 11, 2026 | A138782 |
| H2218305 | Certificate of Analysis | Mar 11, 2026 | A138782 |
| H2218306 | Certificate of Analysis | Mar 11, 2026 | A138782 |
| K2405396 | Certificate of Analysis | Apr 02, 2024 | A138782 |
| 溶解度 | ≥48 mg/mL in DMSO; insoluble in H2O; ≥56 mg/mL in EtOH； |
|---|---|
| 分子量 | 480.500 g/mol |
| XLogP3 | -1.000 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 7 |
| Exact Mass | 480.163 Da |
| Monoisotopic Mass | 480.163 Da |
| Topological Polar Surface Area | 172.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 830.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| 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 |
| 1. Tingyu Wen, Guang Xin, Qilong Zhou, Tao Wang, Xiuxian Yu, Yanceng Li, Shiyi Li, Ying Zhang, Kun Zhang, Ting Liu, Beiwei Zhu, Wen Huang. (2024) Investigation into the Potential Mechanism of Radix Paeoniae Rubra Against Ischemic Stroke Based on Network Pharmacology. Nutrients, 16 (24): (4409). [PMID:39771032] [10.3390/nu16244409] |
