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Basic Description
| Synonyms | (-)-Ambroxide | 6790-58-5 | Ambroxide | Ambroxan | Ambrox | (-)-ambrox | FEMA No. 3471 | (+/-)-Ambrox | Ambroxide, (+/-)- | K60YJF1E9A | TD34B3O8M9 | DTXSID0047113 | CHEBI:78307 | 8alpha,12-Oxido-13,14,15,16-tetranorlabdane | (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyldodecahydronaphtho |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Dry ice packs + Cold packs This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Product Application： (-)-Ambroxide is one of the most important components of natural Ambergris and is useful for making amber fragrance. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
- Class Naphthofurans
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Naphthofurans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthofurans |
| Alternative Parents | Tetrahydrofurans Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Naphthofuran - Tetrahydrofuran - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthofurans. These are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. |
| External Descriptors | organic heterotricyclic compound - diterpenoid |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | (3aR,5aS,9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran |
|---|---|
| INCHI | InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3/t12-,13+,15-,16+/m0/s1 |
| InChIKey | YPZUZOLGGMJZJO-LQKXBSAESA-N |
| Smiles | CC1(CCCC2(C1CCC3(C2CCO3)C)C)C |
| Isomeric SMILES | C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CCO3)C)(C)C |
| WGK Germany | 1 |
| Molecular Weight | 236.4 |
| Reaxy-Rn | 117672 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=117672&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Specific Rotation[α] | -25° (C=1,CHCl3) |
|---|---|
| Melt Point(°C) | 77 °C |
| Molecular Weight | 236.390 g/mol |
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 236.214 Da |
| Monoisotopic Mass | 236.214 Da |
| Topological Polar Surface Area | 9.200 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 321.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 |
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