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.
| Pubchem Sid | 488202970 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488202970 |
| Canonical Smiles | C1=CC(=CC=C1C=CC(=O)C2=C(C(C(=C(C2=O)C=C3C(=O)C(=C(C(C3=O)(C4C(C(C(C(O4)CO)O)O)O)O)O)C(=O)C=CC5=CC=C(C=C5)O)O)(C6C(C(C(C(O6)CO)O)O)O)O)O)O |
| IUPAC Name | (2Z,6S)-5,6-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[[(3S)-2,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-oxo-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-1,4-dien-1-yl]methylidene]cyclohex-4-ene-1,3-dione |
| InChIKey | WLYGSPLCNKYESI-RSUQVHIMSA-N |
| INCHI | 1S/C43H42O22/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-47,52-58,60-63H,14-15H2/b11-5+,12-6+,21-13-/t24-,25-,30-,31-,32+,33+,34-,35-,40-,41-,42+,43-/m1/s1 |
| Isomeric SMILES | C1=CC(=CC=C1/C=C/C(=O)C2=C([C@@](C(=C(C2=O)/C=C\3/C(=O)C(=C([C@](C3=O)([C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)C(=O)/C=C/C5=CC=C(C=C5)O)O)([C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O |
| PubChem CID | 135565560 |
| Molecular Weight | 910.78 |
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 | Phenylpropanoids and polyketides |
| Class | Cinnamic acids and derivatives |
| Subclass | Hydroxycinnamic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroxycinnamic acids and derivatives |
| Alternative Parents | C-glycosyl compounds Styrenes O-quinomethanes M-benzoquinones 1-hydroxy-2-unsubstituted benzenoids Cyclohexenones Oxanes Acyloins Monosaccharides Vinylogous acids Tertiary alcohols Acryloyl compounds Enones Secondary alcohols Polyols Oxacyclic compounds Dialkyl ethers Enols Hydrocarbon derivatives Primary alcohols Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hydroxycinnamic acid or derivatives - C-glycosyl compound - Glycosyl compound - M-benzoquinone - O-quinomethane - Quinomethane - Quinone - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Phenol - Acyloin - Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - Tertiary alcohol - Vinylogous acid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Cyclic ketone - Secondary alcohol - Ketone - Polyol - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Enol - Primary alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroxycinnamic acids and derivatives. These are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. |
| External Descriptors | hydroxycinnamic acid |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2320517 | Certificate of Analysis | Jan 26, 2026 | S303555 |
| C2320494 | Certificate of Analysis | Jan 26, 2026 | S303555 |
| C2320220 | Certificate of Analysis | Jan 26, 2026 | S303555 |
| C2320210 | Certificate of Analysis | Jan 19, 2026 | S303555 |
| C2320166 | Certificate of Analysis | Dec 19, 2022 | S303555 |
| C2320167 | Certificate of Analysis | Dec 19, 2022 | S303555 |
| D2426061 | Certificate of Analysis | Dec 19, 2022 | S303555 |
| G2517071 | Certificate of Analysis | Dec 19, 2022 | S303555 |
| H2518121 | Certificate of Analysis | Dec 19, 2022 | S303555 |
| Molecular Weight | 910.800 g/mol |
|---|---|
| XLogP3 | -2.500 |
| Hydrogen Bond Donor Count | 15 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 11 |
| Exact Mass | 910.217 Da |
| Monoisotopic Mass | 910.217 Da |
| Topological Polar Surface Area | 407.000 Ų |
| Heavy Atom Count | 65 |
| Formal Charge | 0 |
| Complexity | 2100.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 12 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 3 |
| Covalently-Bonded Unit Count | 1 |
| 1. Jianhua Liao, Chunyan Meng, Jun Cheng, Baoqing Liu, Yuzhi Shao. (2025) HSYA from safflower mitigates oxidative stress, inflammation, and apoptosis in liver ischemia-reperfusion injury. XENOBIOTICA, [PMID:40390551] [10.1080/00498254.2025.2507139] |
