≥80% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | 488200701 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488200701 |
| Canonical Smiles | CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)[O-])O)O)OC5C(C(C(C(O5)C(=O)[O-])O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)[O-])C)C)C)C.[Na+].[Na+].[Na+] |
| IUPAC Name | trisodium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate |
| InChIKey | CCXAYLQLOLXXKE-DWJAGBRCSA-K |
| INCHI | 1S/C42H62O16.3Na/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);;;/q;3*+1/p-3/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;;/m0.../s1 |
| Isomeric SMILES | C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)[O-])O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)[O-])O)O)O)C)(C)C(=O)[O-].[Na+].[Na+].[Na+] |
| RTECS | LZ6500500 |
| PubChem CID | 24838409 |
| Molecular Weight | 888.89 |
| Reaxy-Rn | 7460386 |
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 | Fatty Acyls |
| Subclass | Fatty acyl glycosides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Sophorolipids |
| Alternative Parents | Triterpene saponins Triterpenoids Fatty acyl glycosides of mono- and disaccharides O-glucuronides Alkyl glycosides Tricarboxylic acids and derivatives Cyclohexenones Beta hydroxy acids and derivatives Pyrans Oxanes Monosaccharides Enones Acryloyl compounds Secondary alcohols Carboxylic acid salts Polyols Oxacyclic compounds Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Sophorolipid - Triterpene saponin - Triterpene glycoside - Triterpenoid - Fatty acyl glycoside of mono- or disaccharide - O-glucuronide - 1-o-glucuronide - Glucuronic acid or derivatives - Alkyl glycoside - Tricarboxylic acid or derivatives - Cyclohexenone - Beta-hydroxy acid - Pyran - Oxane - Monosaccharide - Hydroxy acid - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Secondary alcohol - Ketone - Carboxylic acid salt - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Polyol - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as sophorolipids. These are glycolipids containing a sophorose moiety linked glycosidically to the hydroxyl group of a 17-hydroxy-C18 saturated fatty acid. The carboxyl group of the fatty acid can be linked to the 4'-hydroxyl of the second glucose to form a lactone. |
| 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 |
|---|---|---|---|
 G2220073 | Certificate of Analysis | May 08, 2026 | T161877 |
| G2219916 | Certificate of Analysis | May 08, 2026 | T161877 |
| F2210681 | Certificate of Analysis | Mar 16, 2026 | T161877 |
| F2210680 | Certificate of Analysis | Mar 16, 2026 | T161877 |
| G2113316 | Certificate of Analysis | Apr 03, 2025 | T161877 |
| Specific Rotation[α] | 63° (C=1.5,H2O) |
|---|---|
| Molecular Weight | 888.900 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 4 |
| Exact Mass | 888.35 Da |
| Monoisotopic Mass | 888.35 Da |
| Topological Polar Surface Area | 276.000 Ų |
| Heavy Atom Count | 61 |
| Formal Charge | 0 |
| Complexity | 1710.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 19 |
| 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 | 4 |
