≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated 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.
Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.
| Canonical Smiles | CC1CC2=CC3=C(C(=C2C(=O)O1)O)C(=O)C(=C(C3=O)OC)C4=C(C(=O)C5=C(C4=O)C(=C6C(=C5)CC(OC6=O)C)O)OC |
|---|---|
| IUPAC Name | 10-hydroxy-8-(10-hydroxy-7-methoxy-3-methyl-1,6,9-trioxo-3,4-dihydrobenzo[g]isochromen-8-yl)-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromene-1,6,9-trione |
| InChIKey | WICHONPZVIYWIJ-UHFFFAOYSA-N |
| INCHI | 1S/C30H22O12/c1-9-5-11-7-13-17(23(33)15(11)29(37)41-9)25(35)19(27(39-3)21(13)31)20-26(36)18-14(22(32)28(20)40-4)8-12-6-10(2)42-30(38)16(12)24(18)34/h7-10,33-34H,5-6H2,1-4H3 |
| Isomeric SMILES | CC1CC2=CC3=C(C(=C2C(=O)O1)O)C(=O)C(=C(C3=O)OC)C4=C(C(=O)C5=C(C4=O)C(=C6C(=C5)CC(OC6=O)C)O)OC |
| PubChem CID | 15519 |
| Molecular Weight | 574.49 |
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 | Phenylpropanoids and polyketides |
| Class | Isochromanequinones |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isochromanequinones |
| Alternative Parents | Naphthopyranones Naphthoquinones 2-benzopyrans Quinones Aryl ketones Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Dicarboxylic acids and derivatives Vinylogous esters Vinylogous acids Lactones Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isochromanequinone - Naphthopyranone - Naphthopyran - Naphthoquinone - Benzopyran - Isochromane - Naphthalene - 2-benzopyran - Aryl ketone - Quinone - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Dicarboxylic acid or derivatives - Benzenoid - Pyran - Vinylogous ester - Vinylogous acid - Lactone - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isochromanequinones. These are polycyclic compounds containing an isochromanequinone, which is structurally characterized by a quinone fused to an isochromane, and forming a naphtho[2,3-c]pyran-6,9-dione skeleton. |
| External Descriptors | Not available |
| Solubility | Soluble in DMSO |
|---|---|
| Molecular Weight | 574.500 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 3 |
| Exact Mass | 574.111 Da |
| Monoisotopic Mass | 574.111 Da |
| Topological Polar Surface Area | 180.000 Ų |
| Heavy Atom Count | 42 |
| Formal Charge | 0 |
| Complexity | 1260.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
