≥98% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504767536 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767536 |
| Canonical Smiles | CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(=C)C4(C(C(=O)O3)O)O)O)(OC5)O)C)O |
| IUPAC Name | (1R,4R,5R,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione |
| InChIKey | UCUWZJWAQQRCOR-OKNZMGBLSA-N |
| INCHI | 1S/C20H24O9/c1-7-4-10(21)13(23)17(3)9(7)5-11-18-6-28-20(27,16(17)18)12(22)8(2)19(18,26)14(24)15(25)29-11/h4,9,11-14,16,22-24,26-27H,2,5-6H2,1,3H3/t9-,11+,12+,13+,14-,16+,17+,18+,19-,20-/m0/s1 |
| Isomeric SMILES | CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@]([C@@H](C(=C)[C@@]4([C@H](C(=O)O3)O)O)O)(OC5)O)C)O |
| PubChem CID | 13936691 |
| Molecular Weight | 408.4 |
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 |
| Class | Prenol lipids |
| Subclass | Terpene lactones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quassinoids |
| Alternative Parents | Triterpenoids Naphthopyrans Naphthalenes Oxepanes Cyclohexenones Delta valerolactones Pyrans Oxanes Tetrahydrofurans Tertiary alcohols Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Hemiacetals Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Triterpenoid - Polycyclic triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Delta valerolactone - Delta_valerolactone - Oxepane - Cyclohexenone - Pyran - Oxane - Tertiary alcohol - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - Cyclic ketone - Carboxylic acid ester - Hemiacetal - Ketone - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Polyol - Monocarboxylic acid or derivatives - Alcohol - Carbonyl group - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quassinoids. These are a group of compounds chemically degraded from triterpenes. According to their basic skeleton, quassinoids are categorized into five distinct groups, C-18, C-19, C-20, C-22 and C-25 types. The C-20 quassinoids can be further classified into two types, tetracyclic and the pentacyclic. The tetracyclic variety does not have oxygenation at C-20, while the pentacyclic quassinoids possess additional oxygenation at C-20 that allows for the formation of an additional ring. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2215518 | Certificate of Analysis | Jun 10, 2025 | E357556 |
| I2215520 | Certificate of Analysis | Jun 10, 2025 | E357556 |
| I2215521 | Certificate of Analysis | Jun 10, 2025 | E357556 |
| I2215522 | Certificate of Analysis | Jun 10, 2025 | E357556 |
| I2215523 | Certificate of Analysis | Jun 10, 2025 | E357556 |
| I2215597 | Certificate of Analysis | Jun 10, 2025 | E357556 |
| Boil Point(°C) | 669.5° C at 760 mmHg (Predicted) |
|---|---|
| Melt Point(°C) | 242-243° C |
| Molecular Weight | 408.400 g/mol |
| XLogP3 | -2.800 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 0 |
| Exact Mass | 408.142 Da |
| Monoisotopic Mass | 408.142 Da |
| Topological Polar Surface Area | 154.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 896.000 |
| 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 |
