Tingenone
染用卫矛酮
PHY-NP-01623 · Natural product research catalog
| Catalog number | PHY-NP-01623 |
|---|---|
| CAS number | 50802-21-6 |
| Molecular formula | C28H36O3 |
| Molecular weight | 420.593 g/mol |
| Chemical class | Triterpenoids |
| Purity / assay | Confirmed in quotation and batch COA |
Select a pack size
| Pack | Price (USD) | Availability | Lead time |
|---|---|---|---|
| 5 mg | Request quote | To be confirmed | Confirm in quotation |
| 10 mg | Request quote | To be confirmed | Confirm in quotation |
| 20 mg | Request quote | To be confirmed | Confirm in quotation |
| 50 mg | Request quote | To be confirmed | Confirm in quotation |
| 100 mg | Request quote | To be confirmed | Confirm in quotation |
Final specifications and availability are confirmed in your quotation. No purchase or reservation is made here.
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Product information
Tingenone is listed in the Triterpenoids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.
For research use only. Not for human or veterinary use, diagnosis or treatment.
Names & identifiers
| IUPAC name | (6aS,6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2[C@@](CC[C@]3([C@]2(CC[C@@]4(C3=CC=C5C4=CC(=O)C(=C5C)O)C)C)C)(CC1=O)C |
| InChIKey | WSTYNZDAOAEEKG-GWJSGULQSA-N |
| Subclass / scaffold | 三萜 |
| PubChem CID | 101520 |
Computed properties & structure classification
| Exact mass (Da) | 420.2664 | Predicted LogP | 6.4219 |
|---|---|---|---|
| Predicted TPSA (Ų) | 54.37 | H-bond donors | 1 |
| H-bond acceptors | 3 | Rotatable bonds | 0 |
| Ring count | 5 | Aromatic rings | 0 |
| Fraction Csp³ | 0.643 | Synthetic accessibility score | 4.94 |
| QED score | 0.492 | Lipinski rule violations | 1 |
| NPClassifier pathway | Terpenoids | NPClassifier superclass | Triterpenoids |
| Parent SMILES | CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)C[C@]3(C)CC[C@]12C | Parent formula | C28H36O3 |
| Parent molecular weight | 420.593 | Specified stereocenters | 6 |
| Unspecified stereocenters | 0 |
Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.
Reported natural occurrence
| Main reported source | Monteverdia krukovii |
|---|---|
| LOTUS / Wikidata species | Monteverdia krukovii[4]；Monteverdia macrocarpa[4]；Tripterygium wilfordii(雷公藤)[4]；Catha edulis(巧茶)[2]；Elaeodendron balae[2]；Elaeodendron croceum[2]；Gymnosporia cassinoides[2]；Hippocratea volubilis[2]；Maytenus canariensis[2]；Maytenus scutioides[2]；Maytenus spinosa[2]；Monteverdia aquifolium[2]；Monteverdia spinosa[2]；Peritassa campestris[2]；Salacia chinensis(五层龙)[2]；… |
| Source families | Celastraceae[42] |
| LOTUS species records | 42 |
| LOTUS reference records | 44 |
| COCONUT occurrence records | Acacia pachyphloia；Acanthothamnus aphyllus；Adenopeltis colliguaya；Argemone munita；Ariocarpus retusus；Arthrinium arundinis；Aspergillus arenarius；Aspergillus quadrilineatus；Astragalus pamirensis；Beaumontia brevituba；Berberis lambertii；Bituminaria bituminosa；Bombus hortorum；Calyx podatypa；Catha edulis；Centaurea hololeuca；Centaurea seridis；Centipeda cunninghami；Ceratocystis clavigera；Cereus weberi；Cheiloclinium cognatum；Chisocheton siamensis；Chrozophora obliqua；Chrysanthemum x morifolium；Cladiella kashmani；Cneorum pulverulentum；Coleus coerulescens；Coleus garckeanus；Consolida ajacis；Cyanostegia microphylla；… |
| COCONUT organism records | 132 |
| COCONUT identifier | CNP0310954.1 |
Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.
Structure resources
Structure files describe the catalog record. They are not COA, SDS or evidence of batch quality.
Documents & specifications
| Certificate of analysis (COA) | Batch-specific document pending; not available in this preview |
|---|---|
| Safety data sheet (SDS) | Not yet published |
| Storage / solubility | Product-specific conditions to be confirmed |
| Shipping | Confirmed with the quotation |
Request applicable documentation and handling information before ordering or use.