≥96% 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(C5=C(C6=C(CC(OC6=O)C)C=C5C=C4OC)O)O |
|---|---|
| IUPAC Name | (3R)-8-[(3R)-9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-8-yl]-10-hydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromene-1,6,9-trione |
| InChIKey | CKVKZAJXACTIEL-GHMZBOCLSA-N |
| INCHI | 1S/C30H24O11/c1-10-5-12-7-14-9-16(38-3)21(25(33)17(14)24(32)18(12)29(36)40-10)22-27(35)20-15(23(31)28(22)39-4)8-13-6-11(2)41-30(37)19(13)26(20)34/h7-11,32-34H,5-6H2,1-4H3/t10-,11-/m1/s1 |
| Isomeric SMILES | C[C@@H]1CC2=CC3=C(C(=C2C(=O)O1)O)C(=O)C(=C(C3=O)OC)C4=C(C5=C(C6=C(C[C@H](OC6=O)C)C=C5C=C4OC)O)O |
| PubChem CID | 3033108 |
| Molecular Weight | 560.51 |
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 Naphthols and derivatives 2-benzopyrans Anisoles Aryl ketones Quinones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Pyranones and derivatives Vinylogous acids Vinylogous esters Lactones Carboxylic acid esters Oxacyclic compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isochromanequinone - Naphthopyranone - Naphthopyran - Naphthoquinone - 1-naphthol - Benzopyran - Isochromane - Naphthalene - 2-benzopyran - Anisole - Phenol ether - Quinone - Aryl ketone - Pyranone - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Pyran - Vinylogous acid - Vinylogous ester - Carboxylic acid ester - Ketone - Lactone - Ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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 | 560.500 g/mol |
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 3 |
| Exact Mass | 560.132 Da |
| Monoisotopic Mass | 560.132 Da |
| Topological Polar Surface Area | 166.000 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 1160.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
