Cas no 304642-94-2 (Kaur-16-en-15-one,18-(acetyloxy)-7,20-epoxy-1,6,7,14-tetrahydroxy-, (1b,4a,6b,7a,14R)-)
Kaur-16-en-15-one,18-(acetyloxy)-7,20-epoxy-1,6,7,14-tetrahydroxy-, (1b,4a,6b,7a,14R)- Chemical and Physical Properties
Names and Identifiers
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- Kaur-16-en-15-one,18-(acetyloxy)-7,20-epoxy-1,6,7,14-tetrahydroxy-, (1b,4a,6b,7a,14R)-
- XEROPHILUSIN G
- 11-DeoxyxerophilusinVI
- 19-Acetylxerophilusin III
- 3-Deoxyxerophilusin VII
- [ "" ]
- CS-0016346
- HY-N1062
- 11-Deoxyxerophilusin VI; 19-Acetylxerophilusin III; 3-Deoxyxerophilusin VII
- 304642-94-2
- CID 91895323
- AKOS032961589
- [(1S,2S,5S,8R,9S,10S,11R,12R,15R,18R)-9,10,15,18-tetrahydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
- [(1S,2S,5S,8R,9R,10S,11R,12R,15R,18R)-9,10,15,18-tetrahydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
- CHEMBL2368526
- FS-9735
- (-)-Xerophilusin G
- DA-68739
-
- Inchi: 1S/C22H30O8/c1-10-12-4-5-13-20-9-30-22(28,21(13,16(10)25)17(12)26)18(27)15(20)19(3,7-6-14(20)24)8-29-11(2)23/h12-15,17-18,24,26-28H,1,4-9H2,2-3H3/t12-,13-,14+,15+,17+,18-,19-,20+,21-,22+/m0/s1
- InChI Key: WXIZMFKMNALSKU-BWCLEITDSA-N
- SMILES: O1C[C@@]23[C@@H](CC[C@@](C)(COC(C)=O)[C@H]2[C@@H]([C@@]1([C@]12C(C(=C)[C@H](CC[C@@H]31)[C@H]2O)=O)O)O)O
Computed Properties
- Exact Mass: 422.19400
- Monoisotopic Mass: 422.19406791g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 30
- Rotatable Bond Count: 3
- Complexity: 841
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.6
- Topological Polar Surface Area: 134?2
Experimental Properties
- Color/Form: Powder
- Density: 1.4±0.1 g/cm3
- Boiling Point: 641.9±55.0 °C at 760 mmHg
- Flash Point: 223.6±25.0 °C
- PSA: 133.52000
- LogP: -0.08120
- Vapor Pressure: 0.0±4.3 mmHg at 25°C
Kaur-16-en-15-one,18-(acetyloxy)-7,20-epoxy-1,6,7,14-tetrahydroxy-, (1b,4a,6b,7a,14R)- Security Information
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:Store at 4 ℃, better at -4 ℃
Kaur-16-en-15-one,18-(acetyloxy)-7,20-epoxy-1,6,7,14-tetrahydroxy-, (1b,4a,6b,7a,14R)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X11520-5 mg |
Kaur-16-en-15-one,18-(acetyloxy)-7,20-epoxy-1,6,7,14-tetrahydroxy-, (1b,4a,6b,7a,14R)- |
304642-94-2 | 5mg |
¥6720.0 | 2021-09-07 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X11520-5mg |
Kaur-16-en-15-one,18-(acetyloxy)-7,20-epoxy-1,6,7,14-tetrahydroxy-, (1b,4a,6b,7a,14R)- |
304642-94-2 | ,98.5% | 5mg |
¥6720.0 | 2023-09-06 | |
| TargetMol Chemicals | TMA1742-5 mg |
Xerophilusin G |
304642-94-2 | 98% | 5mg |
¥ 4,750 | 2023-07-10 | |
| TargetMol Chemicals | TMA1742-1 mL * 10 mM (in DMSO) |
Xerophilusin G |
304642-94-2 | 98% | 1 mL * 10 mM (in DMSO) |
¥ 4850 | 2023-09-15 | |
| TargetMol Chemicals | TMA1742-5mg |
Xerophilusin G |
304642-94-2 | 5mg |
¥ 4750 | 2024-07-19 | ||
| A2B Chem LLC | AF65941-5mg |
Xerophilusin G |
304642-94-2 | 98.5% | 5mg |
$844.00 | 2024-04-20 | |
| TargetMol Chemicals | TMA1742-1 ml * 10 mm |
Xerophilusin G |
304642-94-2 | 1 ml * 10 mm |
¥ 4850 | 2024-07-19 |
Kaur-16-en-15-one,18-(acetyloxy)-7,20-epoxy-1,6,7,14-tetrahydroxy-, (1b,4a,6b,7a,14R)- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
Additional information on Kaur-16-en-15-one,18-(acetyloxy)-7,20-epoxy-1,6,7,14-tetrahydroxy-, (1b,4a,6b,7a,14R)-
Exploring the Unique Properties and Applications of Kaur-16-en-15-one,18-(acetyloxy)-7,20-epoxy-1,6,7,14-tetrahydroxy-, (1b,4a,6b,7a,14R)- (CAS No. 304642-94-2)
The compound Kaur-16-en-15-one,18-(acetyloxy)-7,20-epoxy-1,6,7,14-tetrahydroxy-, (1b,4a,6b,7a,14R)- (CAS No. 304642-94-2) is a fascinating diterpenoid with a complex molecular structure. As researchers continue to explore natural products for pharmaceutical and biochemical applications, this compound has garnered attention for its unique structural features and potential biological activities. The kaurane skeleton forms the core of this molecule, modified with multiple functional groups including acetyloxy, epoxy, and tetrahydroxy substitutions that contribute to its distinctive properties.
Recent scientific interest in diterpenoid derivatives has surged due to their diverse biological activities. The specific configuration of this compound - with its 1b,4a,6b,7a,14R stereochemistry and 7,20-epoxy bridge - creates a three-dimensional structure that may interact uniquely with biological targets. These structural characteristics make it particularly interesting for researchers investigating natural product chemistry and drug discovery approaches.
The presence of multiple hydroxyl groups in Kaur-16-en-15-one,18-(acetyloxy)-7,20-epoxy-1,6,7,14-tetrahydroxy- suggests potential for hydrogen bonding interactions, which could be significant for its solubility profile and biological activity. The acetyloxy group at position 18 adds an interesting lipophilic component to the otherwise polar molecule, potentially affecting its membrane permeability and pharmacokinetic properties.
In the context of current research trends, this compound falls into the category of oxygenated diterpenoids, which are being extensively studied for their potential therapeutic applications. The scientific community has shown particular interest in such compounds for their possible roles in anti-inflammatory pathways and cellular signaling modulation, though specific research on this exact molecule remains limited and represents an area for future investigation.
From a synthetic chemistry perspective, the complex structure of Kaur-16-en-15-one,18-(acetyloxy)-7,20-epoxy-1,6,7,14-tetrahydroxy-, (1b,4a,6b,7a,14R)- presents interesting challenges. The multiple stereocenters and functional groups would require careful consideration in any synthetic route design. This complexity makes it an attractive target for total synthesis efforts and methodology development in organic chemistry.
The compound's potential applications extend to various fields of research. In medicinal chemistry, its scaffold could serve as a starting point for the development of novel therapeutic agents. The epoxy group in particular represents a reactive handle that could be exploited for further chemical modifications, potentially leading to analogs with enhanced biological activity or improved pharmacological properties.
Analytical characterization of Kaur-16-en-15-one,18-(acetyloxy)-7,20-epoxy-1,6,7,14-tetrahydroxy- would likely involve advanced techniques such as NMR spectroscopy and mass spectrometry to confirm its structure and purity. The compound's physical properties, including solubility characteristics and stability profile, would be important parameters for researchers working with this material.
In the broader context of natural product research, compounds like this highlight the structural diversity found in plant-derived metabolites. The kaurane diterpenoids as a class have shown various biological activities in scientific studies, making them interesting targets for phytochemical investigations and potential drug discovery programs.
As the scientific community continues to explore bioactive natural products, compounds with complex oxygenation patterns like Kaur-16-en-15-one,18-(acetyloxy)-7,20-epoxy-1,6,7,14-tetrahydroxy-, (1b,4a,6b,7a,14R)- represent valuable tools for understanding structure-activity relationships in medicinal chemistry. Their study contributes to our fundamental knowledge of how molecular structure influences biological interactions.
The current market for specialized research chemicals and reference standards continues to grow, driven by increasing pharmaceutical R&D and natural product research. Compounds like this, with their unique structural features, fill important niches in chemical libraries used for screening and biological evaluation.
Future research directions for this compound might include investigation of its potential biological activities, development of efficient synthetic routes, or exploration of structure-activity relationships through analog synthesis. The growing interest in plant-derived compounds for various applications ensures that molecules like this will remain relevant in chemical research.
From a safety perspective, while this compound doesn't fall under restricted categories, proper laboratory practices should always be followed when handling any chemical substance. Researchers should consult appropriate chemical safety data and implement standard precautions during experimental work with this material.
The study of complex diterpenoids like Kaur-16-en-15-one,18-(acetyloxy)-7,20-epoxy-1,6,7,14-tetrahydroxy-, (1b,4a,6b,7a,14R)- contributes to our understanding of natural product diversity and chemical space. As analytical techniques continue to advance, allowing for more detailed structural characterization of such compounds, we can expect to gain deeper insights into their potential applications and biological significance.
In conclusion, Kaur-16-en-15-one,18-(acetyloxy)-7,20-epoxy-1,6,7,14-tetrahydroxy-, (1b,4a,6b,7a,14R)- (CAS No. 304642-94-2) represents an interesting example of oxygenated diterpenoid chemistry. Its complex structure and potential biological relevance make it a compound worthy of further investigation in various fields of chemical and pharmaceutical research.
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