≥98% 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.
| Canonical Smiles | CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)(C)O |
|---|---|
| IUPAC Name | (1R,2S,6S,9S,10S,11R,14S,15S,18S,20S,23R,24S)-10-hydroxy-6,10,23-trimethyl-20-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one |
| InChIKey | DHQFYEJMFMYGCV-DLJWJMOOSA-N |
| INCHI | 1S/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18+,19+,20-,21-,22+,23-,24+,26+,27-,28+,29-,30+,31+,32+,33-/m0/s1 |
| Isomeric SMILES | C[C@H]1CC[C@H]2[C@@]([C@@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)(C)O |
| PubChem CID | 132538 |
| Molecular Weight | 591.78 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Steroidal glycosides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Steroidal saponins |
| Alternative Parents | Diterpene glycosides Cerveratrum-type alkaloids Azasteroids and derivatives Diterpenoids Hexoses O-glycosyl compounds Quinolizidines Alkaloids and derivatives Piperidines Oxanes Tertiary alcohols 1,2-aminoalcohols Ketones Secondary alcohols Trialkylamines Oxacyclic compounds Polyols Acetals Azacyclic compounds Primary alcohols Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Steroidal saponin - Diterpene glycoside - Cerveratrum-type alkaloid - Diterpenoid - Steroidal alkaloid - Azasteroid - Terpene glycoside - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Quinolizidine - Alkaloid or derivatives - Monosaccharide - Oxane - Piperidine - Tertiary alcohol - 1,2-aminoalcohol - Ketone - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Polyol - Oxacycle - Organoheterocyclic compound - Azacycle - Acetal - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alcohol - Organooxygen compound - Primary alcohol - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as steroidal saponins. These are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 591.800 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 3 |
| Exact Mass | 591.377 Da |
| Monoisotopic Mass | 591.377 Da |
| Topological Polar Surface Area | 140.000 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 1040.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 17 |
| 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 |
