trans-β-Apo-8′-carotenal - ≥96% , CAS No.1107-26-2

CAS: 1107-26-2 Cat. No.: A106806 Peso molecular: 416.64 Beilstein Registry Number: 2064131 Número EC: 214-171-6

GRADE & PURITY ≥96%

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 |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

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 |

Especificaciones y pureza

≥96%

Mecanismos bioquímicos y fisiológicos

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.

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C
• 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
• InChIKey: DFMMVLFMMAQXHZ-DOKBYWHISA-N
• 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+
• Isómeros 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 Alemania: 2
• Peso molecular: 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Triterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: chloroform: 1 mg/mL, clear to very faintly turbid, intense red-orange
• Sensibilidad: light sensitive&air sensitive
• Punto de fusión (°C): 138-141°C
• Peso molecular: 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

Referencias

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,      [PMID:] [10.1021/acssuschemeng.2c06726]

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,      [PMID:35223999] [10.3389/fmolb.2022.844453]

3. Dianqi Yang, Jiawei Huang, Yufeng Wu, Lijin Jiang, Chenyu Zhang, Zhipeng Qi, Da Wu, Jiale Wang, Xiaoqiang Ma.  (2025)  Microbial Biosynthesis of β-Ionone and Its Hydroxylated Derivative via Enzyme and Metabolic Engineering.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:41442486] [10.1021/acs.jafc.5c08549]