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Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C 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.
| Canonical Smiles | CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C(C)CO |
|---|---|
| IUPAC Name | 1-hydroxy-2-(1-hydroxypropan-2-yl)-8-methylphenanthrene-3,4-dione |
| InChIKey | GRGPQNRHXNRJFL-UHFFFAOYSA-N |
| INCHI | 1S/C18H16O4/c1-9-4-3-5-12-11(9)6-7-13-15(12)18(22)17(21)14(16(13)20)10(2)8-19/h3-7,10,19-20H,8H2,1-2H3 |
| Isomeric SMILES | CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C(C)CO |
| Alternate CAS | 65907-75-7,121064-74-2 |
| MeSH Entry Terms | sodium tanshinone VI 1-phenolate;tanshinone VI |
| Molecular Weight | 296.32 |
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 | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Diterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tanshinones, isotanshinones, and derivatives |
| Alternative Parents | Phenanthrols Hydrophenanthrenes Naphthoquinones Naphthols and derivatives Quinones Aryl ketones Vinylogous acids Enols Primary alcohols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Tanshinone skeleton - Phenanthrol - Hydrophenanthrene - Phenanthrene - Naphthoquinone - 1-naphthol - Naphthalene - Aryl ketone - Quinone - Benzenoid - Vinylogous acid - Cyclic ketone - Ketone - Enol - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Primary alcohol - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as tanshinones, isotanshinones, and derivatives. These are a group of abietane-type norditerpenoid quinones. |
| External Descriptors | Not available |
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| Sensitivity | Light sensitive |
|---|---|
| Molecular Weight | 296.300 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 296.105 Da |
| Monoisotopic Mass | 296.105 Da |
| Topological Polar Surface Area | 74.600 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 521.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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