Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 13 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 2 |
|---|
| Pubchem Sid | 504751976 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751976 |
| Canonical Smiles | COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O |
| IUPAC Name | (5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one |
| InChIKey | YJGVMLPVUAXIQN-XVVDYKMHSA-N |
| INCHI | 1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1 |
| Isomeric SMILES | COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O |
| WGK Germany | 3 |
| RTECS | LV2500000 |
| UN Number | 3462 |
| Molecular Weight | 414.41 |
| Beilstein | 99163 |
| Reaxy-Rn | 366516 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=366516&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 | Lignans, neolignans and related compounds |
| Class | Lignan lactones |
| Subclass | Podophyllotoxins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Podophyllotoxins |
| Alternative Parents | Aryltetralin lignans Furanonaphthodioxoles Tetralins Benzodioxoles Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Gamma butyrolactones Tetrahydrofurans Secondary alcohols Carboxylic acid esters Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Podophyllotoxin - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Tetralin - Benzodioxole - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Gamma butyrolactone - Tetrahydrofuran - Secondary alcohol - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Oxacycle - Carboxylic acid derivative - Acetal - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as podophyllotoxins. These are tetralin lignans in which the benzene moiety of the tetralin skeleton is fused to a 1,3-dioxolane and the cyclohexane is fused to a butyrolactone (pyrrolidin-2-one). |
| External Descriptors | Phenylpropanoids - Lignans - Phytotoxins |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Apr 08, 2026 | P105536 | |
| Certificate of Analysis | Apr 08, 2026 | P105536 | |
| Certificate of Analysis | Apr 08, 2026 | P105536 | |
| Certificate of Analysis | Apr 08, 2026 | P105536 | |
| Certificate of Analysis | Apr 07, 2026 | P105536 | |
| Certificate of Analysis | Jun 09, 2025 | P105536 | |
| Certificate of Analysis | May 27, 2025 | P105536 | |
| Certificate of Analysis | May 27, 2025 | P105536 | |
| Certificate of Analysis | May 27, 2025 | P105536 | |
| Certificate of Analysis | May 27, 2025 | P105536 | |
| Certificate of Analysis | May 27, 2025 | P105536 | |
| Certificate of Analysis | May 27, 2025 | P105536 | |
| Certificate of Analysis | May 27, 2025 | P105536 | |
| Certificate of Analysis | May 27, 2025 | P105536 | |
| Certificate of Analysis | Aug 23, 2021 | P105536 | |
| Certificate of Analysis | Aug 23, 2021 | P105536 | |
| Certificate of Analysis | Aug 23, 2021 | P105536 | |
| Certificate of Analysis | Aug 23, 2021 | P105536 | |
| Certificate of Analysis | Aug 23, 2021 | P105536 | |
| Certificate of Analysis | Aug 23, 2021 | P105536 |
| Sensitivity | Heat Sensitive |
|---|---|
| Specific Rotation[α] | -129° (C=1,CHCl3) |
| Melt Point(°C) | 178-184°C |
| Molecular Weight | 414.400 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 414.131 Da |
| Monoisotopic Mass | 414.131 Da |
| Topological Polar Surface Area | 92.700 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 629.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 |