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trans-β-Apo-8′-carotenal - ~20% apocarotenal basis (UV-vis), suspension (oily), high purity , CAS No.1107-26-2
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
~20% apocarotenal basis (UV-vis), suspension (oily)
Storage Temp
Protected from light,Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
trans-β-Apo-8′-carotenal is a linear aldehydic carotenoid. It is naturally found in oranges, spinach, grass, tangerines and marigolds and thus, it is directly absorbed from the diet.
Taxonomic Classification
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
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
504763862
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504763862
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)
Chemical and Physical Properties
Sensitivity
light & air & moisture 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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2 Citations
B2518541