≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)CO |
|---|---|
| IUPAC Name | (6S)-6-(hydroxymethyl)-1,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione |
| InChIKey | XDUXBBDRILEIEZ-LJQANCHMSA-N |
| INCHI | 1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3/t19-/m1/s1 |
| Isomeric SMILES | CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC[C@]4(C)CO |
| Alternate CAS | 17397-93-2 |
| MeSH Entry Terms | tanshinone;tanshinone I;tanshinone II A;tanshinone II B;tanshinone IIA;tanshinone IIB;TTE-50 |
| Molecular Weight | 310.35 |
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 | Phenanthrenes and derivatives Naphthofurans Tetralins Naphthalenes O-quinones Aryl ketones Heteroaromatic compounds Furans Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tanshinone skeleton - Phenanthrene - Naphthofuran - Naphthalene - Tetralin - O-quinone - Quinone - Aryl ketone - Benzenoid - Heteroaromatic compound - Furan - Ketone - Oxacycle - Organoheterocyclic compound - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic 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 |
| Sensitivity | light sensitive |
|---|---|
| Molecular Weight | 310.300 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 310.121 Da |
| Monoisotopic Mass | 310.121 Da |
| Topological Polar Surface Area | 67.500 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 529.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
