Cas no 55331-29-8 (1H-2-Benzoxacyclotetradecin-1-one,3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-)
1H-2-Benzoxacyclotetradecin-1-one,3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-2-Benzoxacyclotetradecin-1-one,3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-
- 3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one
- Ralabol
- Ralgro
- Ralone
- Zearalanol
- Zearanol
- ZERANOL
- HMS3370F15
- FT-0639791
- 6-(6,10-Dihydroxyundecyl)-beta-resorcylic acid, mu-lactone
- SCHEMBL2602612
- NS00000193
- Frideron
- (3S,7X)-3,4,5,6,7,8,9,10,11,12-Decahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one
- NCGC00184708-04
- Zeranol (4)
- alpha zearalanol
- HMS3370D21
- Zerano
- 6-(6,10-Dihydroxyundecyl)-.beta.-resorcylic acid, .mu.-lactone
- 1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-
- AB01209732-04
- THFES(HM)
- Zeranol (USAN/INN)
- AKOS001029828
- AB01209732-01
- BDBM235684
- A-ZEARALANOL
- DWTTZBARDOXEAM-UHFFFAOYSA-N
- Xeranol
- 8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one
- Ralabol (TN)
- P 1496
- DTXSID70860370
- (6X,10S)-6-(6,10-Dihydroxyundecyl)-.beta.-resorcylic acid .mu.-lactone
- Dihydroxyundecyl Resorcylic Acid Lactone
- Zeranol, BAN, INN, USAN
- 1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-, (3S,7X)-
- 1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-; Zeranol (racemic)
- 7,14,16-Trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one
- HMS3393F11
- 1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-, (3S,7R)-(+)-
- RAC-ETHYLENEBIS(4,5,6,7-TETRAHYDRO-1-INDENYL)ZIRCONIUMDICHLORIDE
- Zeranol [USAN:INN:BAN]
- NCGC00184708-02
- 7,14,16-Trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one-, (3S-(3R*,7S*))-
- AC-14977
- 55331-29-8
-
- Inchi: 1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3
- InChI Key: DWTTZBARDOXEAM-UHFFFAOYSA-N
- SMILES: OC1CCCC(C)OC(C2C(=CC(=CC=2CCCCC1)O)O)=O
Computed Properties
- Exact Mass: 322.17800
- Monoisotopic Mass: 322.178
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 372
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 87A^2
- XLogP3: 4.3
Experimental Properties
- Boiling Point: 576°C at 760 mmHg
- Flash Point: 207.8°C
- Refractive Index: 1.535
- PSA: 86.99000
- LogP: 3.29080
1H-2-Benzoxacyclotetradecin-1-one,3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl- Security Information
- WGK Germany:3
- Hazard Category Code: 60-36/37/38
- Safety Instruction: 53-36/37/39-45
- RTECS:DM2520000
-
Hazardous Material Identification:
- Storage Condition:?20°C
1H-2-Benzoxacyclotetradecin-1-one,3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| A2B Chem LLC | AG18074-10mg |
ZERANOL |
55331-29-8 | 10mg |
$1163.00 | 2024-04-19 |
1H-2-Benzoxacyclotetradecin-1-one,3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl- Suppliers
1H-2-Benzoxacyclotetradecin-1-one,3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl- Related Literature
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
Additional information on 1H-2-Benzoxacyclotetradecin-1-one,3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-
Introduction to 1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10,11,12-Decahydro-7,14,16-Trihydroxy-3-Methyl-
The compound with CAS No. 55331-29-8 is a highly complex organic molecule known as 1H-2-Benzoxacyclotetradecin-1-one. This compound belongs to the class of bicyclic ketones and is characterized by its unique structural features. The name itself suggests the presence of a benzene ring fused with a tetradecane system and a ketone group at position 1. The decahydro prefix indicates that the compound has ten hydrogen atoms in its structure. Additionally, the trihydroxy groups at positions 7, 14, and 16 add to its functional complexity.
Recent studies have highlighted the potential of benzoxacyclotetradecin derivatives in various fields of chemistry and pharmacology. For instance, researchers have explored the use of this compound as a precursor for synthesizing bioactive molecules with potential applications in drug discovery. The presence of multiple hydroxyl groups makes it an excellent candidate for further functionalization through oxidation or esterification reactions.
The synthesis of CAS No. 55331-29-8 involves a multi-step process that typically begins with the preparation of a suitable benzene derivative. The key steps include Friedel-Crafts alkylation to introduce the necessary substituents and subsequent cyclization reactions to form the tetradecane ring system. Advanced techniques such as high-resolution mass spectrometry (HRMS) and nuclear magnetic resonance (NMR) spectroscopy are employed to confirm the structure and purity of the final product.
One of the most promising applications of this compound lies in its ability to act as a chiral catalyst in asymmetric synthesis. The chiral centers introduced by the hydroxyl groups at positions 7 and 14 play a crucial role in determining the stereochemical outcome of reactions involving this molecule. Recent research has demonstrated its effectiveness in catalyzing enantioselective aldol reactions, making it a valuable tool in organic synthesis.
In addition to its synthetic applications, benzoxacyclotetradecin derivatives have shown potential in materials science. The rigid structure of this compound makes it an ideal candidate for use in polymer synthesis and as a building block for advanced materials with tailored mechanical properties. Researchers are currently exploring its use in creating biodegradable polymers for sustainable packaging solutions.
The biological activity of CAS No. 55331-29-8 has also been a subject of interest among pharmacologists. Initial studies suggest that this compound exhibits moderate anti-inflammatory properties due to its ability to inhibit cyclooxygenase (COX) enzymes. Furthermore, its hydroxyl groups contribute to its antioxidant activity by neutralizing free radicals in biological systems.
From an environmental perspective, the synthesis and application of benzoxacyclotetradecin derivatives are being optimized to minimize their ecological footprint. Green chemistry principles are being integrated into their production processes to ensure sustainability and reduce waste generation.
In conclusion, CAS No. 55331-29-8, or benzoxacyclotetradecin derivatives, represents a versatile platform for advancing chemical research across multiple disciplines. Its unique structure and functional groups make it an invaluable asset in organic synthesis, pharmacology, and materials science.
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