≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Desiccated 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.
Crocetin monomethyl ester, isolated from Crocus sativus , possesses anti-inflammatory, neuroprotective and antioxidant activity. Crocetin monomethyl ester promotes clearance of amyloid-β by inducing autophagy via the STK11/LKB1-mediated AMPK pathway.
Form:Solid
| Canonical Smiles | CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC)C=CC=C(C)C(=O)O |
|---|---|
| IUPAC Name | (2E,4E,6E,8E,10E,12E,14E)-16-methoxy-2,6,11,15-tetramethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoic acid |
| InChIKey | DGGQUKOLHQXDLV-QTNXRKSWSA-N |
| INCHI | 1S/C21H26O4/c1-16(12-8-14-18(3)20(22)23)10-6-7-11-17(2)13-9-15-19(4)21(24)25-5/h6-15H,1-5H3,(H,22,23)/b7-6+,12-8+,13-9+,16-10+,17-11+,18-14+,19-15+ |
| Isomeric SMILES | C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)OC)/C=C/C=C(\C)/C(=O)O |
| PubChem CID | 88311768 |
| Molecular Weight | 342.43 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Diterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acyclic diterpenoids |
| Alternative Parents | Long-chain fatty acids Methyl-branched fatty acids Fatty acid esters Unsaturated fatty acids Dicarboxylic acids and derivatives Methyl esters Enoate esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acyclic diterpenoid - Long-chain fatty acid - Branched fatty acid - Methyl-branched fatty acid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Unsaturated fatty acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. |
| External Descriptors | Not available |
| Solubility | DMSO : 31.25 mg/mL (91.26 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 342.400 g/mol |
| XLogP3 | 5.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 342.183 Da |
| Monoisotopic Mass | 342.183 Da |
| Topological Polar Surface Area | 63.600 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 681.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 7 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 7 |
| Covalently-Bonded Unit Count | 1 |
