≥98%(HPLC) 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488180977 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488180977 |
| Canonical Smiles | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-] |
| IUPAC Name | 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;sulfate |
| InChIKey | OJVABJMSSDUECT-UHFFFAOYSA-L |
| INCHI | 1S/2C20H18NO4.H2O4S/c2*1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2;1-5(2,3)4/h2*3-4,7-10H,5-6,11H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2 |
| Isomeric SMILES | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-] |
| RTECS | DR9867300 |
| Molecular Weight | 768.79 |
| Beilstein | 27500 |
| Reaxy-Rn | 3877732 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3877732&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 | Alkaloids and derivatives |
| Class | Protoberberine alkaloids and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Protoberberine alkaloids and derivatives |
| Alternative Parents | Isoquinolines and derivatives Benzodioxoles Anisoles Alkyl aryl ethers Pyridinium derivatives Organic sulfate salts Organic sulfuric acids and derivatives Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | Protoberberine skeleton - Isoquinoline - Benzodioxole - Anisole - Alkyl aryl ether - Pyridine - Pyridinium - Benzenoid - Organic sulfate salt - Organic sulfuric acid or derivatives - Heteroaromatic compound - Organoheterocyclic compound - Acetal - Ether - Azacycle - Oxacycle - Organic salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as protoberberine alkaloids and derivatives. These are alkaloids with a structure based on a protoberberine moiety, which consists of a 5,6-dihydrodibenzene moiety fused to a quinolizinium and forming 5,6-Dihydrodibenzo(a,g)quinolizinium skeleton. |
| 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 |
|---|---|---|---|
 J2217214 | Certificate of Analysis | May 11, 2026 | B137177 |
| J2217215 | Certificate of Analysis | May 11, 2026 | B137177 |
| J2217235 | Certificate of Analysis | May 11, 2026 | B137177 |
| J2217236 | Certificate of Analysis | May 11, 2026 | B137177 |
| E2327475 | Certificate of Analysis | Mar 05, 2025 | B137177 |
| K2111574 | Certificate of Analysis | Aug 16, 2023 | B137177 |
| K2111593 | Certificate of Analysis | Aug 16, 2023 | B137177 |
| L1621049 | Certificate of Analysis | Jul 11, 2022 | B137177 |
| Solubility | Soluble in water |
|---|---|
| Molecular Weight | 768.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 4 |
| Exact Mass | 768.199 Da |
| Monoisotopic Mass | 768.199 Da |
| Topological Polar Surface Area | 170.000 Ų |
| Heavy Atom Count | 55 |
| Formal Charge | 0 |
| Complexity | 551.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 3 |
| 1. Qing Li, Yang Liu, Sili Liu, Shiqi Zhang, Xinke Yu, Zhili Wan, Yang Yuan, Paul Van der Meeren, Xiaoquan Yang. (2025) All-natural aggregation-induced emission-active glycyrrhizic acid hydrogels for drug-resistant bacteria-infected wound healing. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2025.162677] |
