≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Argon charged 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.
| Canonical Smiles | CC(CCC(=O)[O-])CC(C)CC(C)C(=O)C=C(C(C)CC(C)CC=CC(C)C(C(C)C(CC1CCC(O1)(C)C2CCC(O2)(C)C(C)O)O)O)[O-].[Ca+2] |
|---|---|
| IUPAC Name | calcium;(4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-19,21-dihydroxy-22-[(2S,5S)-5-[(2R,5S)-5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-4,6,8,12,14,18,20-heptamethyl-11-oxido-9-oxodocosa-10,16-dienoate |
| InChIKey | WKRWUYKLUMMAKG-WYGBAUISSA-L |
| INCHI | 1S/C41H72O9.Ca/c1-25(21-29(5)34(43)24-35(44)30(6)22-27(3)20-26(2)14-15-38(46)47)12-11-13-28(4)39(48)31(7)36(45)23-33-16-18-41(10,49-33)37-17-19-40(9,50-37)32(8)42;/h11,13,24-33,36-37,39,42-43,45,48H,12,14-23H2,1-10H3,(H,46,47);/q;+2/p-2/b13-11+,34-24-;/t25-,26-,27+,28-,29-,30+,31+,32-,33+,36+,37-,39-,40+,41+;/m1./s1 |
| Isomeric SMILES | C[C@H](CCC(=O)[O-])C[C@H](C)C[C@H](C)C(=O)/C=C(/[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@H]([C@@H](C)[C@H](C[C@@H]1CC[C@@](O1)(C)[C@H]2CC[C@@](O2)(C)[C@@H](C)O)O)O)\[O-].[Ca+2] |
| WGK Germany | 3 |
| RTECS | NO0650000 |
| Molecular Weight | 747.07 |
| Beilstein | 1416163 |
| Reaxy-Rn | 33753162 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33753162&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 |
| Class | Prenol lipids |
| Subclass | Terpene glycosides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diterpene glycosides |
| Alternative Parents | Very long-chain fatty acids Diterpenoids Hydroxy fatty acids Unsaturated fatty acids Vinylogous acids Acryloyl compounds Oxolanes Enones Secondary alcohols Carboxylic acid salts Ketones Enolates Oxacyclic compounds Dialkyl ethers Carboxylic acids Monocarboxylic acids and derivatives Organic calcium salts Organic oxides Hydrocarbon derivatives Organic zwitterions Aldehydes |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Diterpene glycoside - Very long-chain fatty acid - Diterpenoid - Hydroxy fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Acryloyl-group - Enone - Vinylogous acid - Alpha,beta-unsaturated ketone - Oxolane - Carboxylic acid salt - Ketone - Secondary alcohol - Carboxylic acid derivative - Organic calcium salt - Carboxylic acid - Dialkyl ether - Enolate - Oxacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Alcohol - Aldehyde - Organic salt - Organooxygen compound - Organic zwitterion - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. |
| 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 |
|---|---|---|---|
 F2517675 | Certificate of Analysis | Jun 26, 2025 | I766684 |
| F2517679 | Certificate of Analysis | Jun 26, 2025 | I766684 |
| F2517682 | Certificate of Analysis | Jun 26, 2025 | I766684 |
| F2517692 | Certificate of Analysis | Jun 26, 2025 | I766684 |
| F2517696 | Certificate of Analysis | Jun 26, 2025 | I766684 |
| F2517709 | Certificate of Analysis | Jun 26, 2025 | I766684 |
| Solubility | Soluble in water. |
|---|---|
| Sensitivity | Light sensitive; Moisture sensitive |
| Melt Point(°C) | 195°C-207°C |
| Molecular Weight | 747.100 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 21 |
| Exact Mass | 746.465 Da |
| Monoisotopic Mass | 746.465 Da |
| Topological Polar Surface Area | 159.000 Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 0 |
| Complexity | 1120.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 14 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 2 |
| Covalently-Bonded Unit Count | 2 |
