Determine the necessary mass, volume, or concentration for preparing a solution.
This is a demo store. No orders will be fulfilled.
| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
|
T664641-10mg
|
10mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$666.90
|
|
| Specifications & Purity | ≥97% |
|---|---|
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Cinnamic acids and derivatives |
| Subclass | Hydroxycinnamic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Coumaric acids and derivatives |
| Alternative Parents | Cinnamic acid esters p-Hydroxybenzoic acid alkyl esters C-glycosyl compounds Disaccharides O-glycosyl compounds Dimethoxybenzenes Methoxyphenols Styrenes Anisoles Benzoyl derivatives Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Fatty acid esters Ketals Oxanes Dicarboxylic acids and derivatives Enoate esters Oxolanes Secondary alcohols Oxacyclic compounds Polyols Carbonyl compounds Hydrocarbon derivatives Primary alcohols Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Coumaric acid or derivatives - Cinnamic acid ester - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - C-glycosyl compound - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzoate ester - Methoxyphenol - M-dimethoxybenzene - Dimethoxybenzene - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Methoxybenzene - Phenol ether - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Ketal - Phenol - Fatty acid ester - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Oxane - Oxolane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Acetal - Oxacycle - Ether - Carboxylic acid derivative - Polyol - Hydrocarbon derivative - Alcohol - Primary alcohol - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. |
| External Descriptors | Not available |
|
|
|
| IUPAC Name | [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl 4-hydroxybenzoate |
|---|---|
| INCHI | InChI=1S/C30H36O17/c1-41-17-9-14(10-18(42-2)22(17)35)3-8-21(34)45-27-24(37)19(11-31)46-30(27,13-32)47-29-26(39)25(38)23(36)20(44-29)12-43-28(40)15-4-6-16(33)7-5-15/h3-10,19-20,23-27,29,31-33,35-39H,11-13H2,1-2H3/b8-3+/t19-,20-,23-,24-,25+,26-,27+,29-,30+/m1/s1 |
| InChIKey | HBYKIOIUVMDUIK-GUJRDUPISA-N |
| Smiles | COC1=CC(=CC(=C1O)OC)C=CC(=O)OC2C(C(OC2(CO)OC3C(C(C(C(O3)COC(=O)C4=CC=C(C=C4)O)O)O)O)CO)O |
| Isomeric SMILES | COC1=CC(=CC(=C1O)OC)/C=C/C(=O)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC=C(C=C4)O)O)O)O)CO)O |
| Alternate CAS | 139726-36-6 |
| PubChem CID | 10055215 |
| Molecular Weight | 668.6 |
| Molecular Weight | 668.600 g/mol |
|---|---|
| XLogP3 | -0.900 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 14 |
| Exact Mass | 668.195 Da |
| Monoisotopic Mass | 668.195 Da |
| Topological Polar Surface Area | 261.000 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1040.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |