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Basic Description
| Synonyms | Q274972 | 4-07-00-01782 (Beilstein Handbook Reference) | all-trans-beta-Apo-8'-carotenal | Beta-apo-8'-carotenal(trans) | BETA-APO-8-CAROTENAL(TRANS) | RGL5YE86CZ | all-trans-8'-apo-beta-carotenal | BETA-APO-8'-CAROTENAL [FCC] | 8'Apo-beta,psi-carotenal | |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Biochemical and Physiological Mechanisms | Natural carotenoid that is formed from β-carotene in vivo and is an inducer of cytochrome P450 1A (CYP1A) in rats and in Ah-receptor-responsive mice. |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Triterpenoids
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Class
Prenol lipids
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Superclass
Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Triterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triterpenoids |
| Alternative Parents | Enals Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Triterpenoid - Enal - Alpha,beta-unsaturated aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. |
| External Descriptors | enal - apo carotenoid triterpenoid |
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Names and Identifiers
| IUPAC Name | (2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenal |
|---|---|
| INCHI | InChI=1S/C30H40O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,23H,12,19,22H2,1-7H3/b9-8+,15-10+,16-11+,21-20+,24-13+,25-14+,26-17+,27-18+ |
| InChIKey | DFMMVLFMMAQXHZ-DOKBYWHISA-N |
| Smiles | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C |
| Isomeric SMILES | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=O)/C)/C |
| WGK Germany | 2 |
| Molecular Weight | 416.64 |
| Beilstein | 2064131 |
| Reaxy-Rn | 3038936 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3038936&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Sensitivity | light sensitive&air sensitive |
|---|---|
| Melt Point(°C) | 138-141°C |
| Molecular Weight | 416.600 g/mol |
| XLogP3 | 9.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 9 |
| Exact Mass | 416.308 Da |
| Monoisotopic Mass | 416.308 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 887.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 8 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 8 |
| Covalently-Bonded Unit Count | 1 |
Citations of This Product
| 1. Wenjing Su, Wenhao Xu, Weike Su. (2023) One-Pot, Water-Based Disruption of Cell Walls and Astaxanthin Extraction from Haematococcus pluvialis by Mechanochemistry. ACS Sustainable Chemistry & Engineering, 11 (13): (5023–5031). |
| 2. Pan Weimin, Zhou Yong-Ling, Wang Jian, Dai Huai-En, Wang Xiao, Liu Lin. (2022) Structural and Functional Analysis of Nonheme Iron Enzymes BCMO-1 and BCMO-2 from Caenorhabditis elegans. Frontiers in Molecular Biosciences, 9 |
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