Ubichromenol , CAS No.2382-48-1

CAS: 2382-48-1 Cat. No.: U275884 Fórmula: C₅₉H₉₀O₄ Peso molecular: 863.3 PubChem CID: 6443757

Synonyms

UNII-1EU272IO2S | Ubichromenol (90%) | UBICHROMENOL 50 [MI] | Ubichromenol (>80per cent) | Ubichromenol | DTXSID501318061 | Coenzyme Q10 (Ubiquinones ) | (R-(all-E))-7,8-Dimethoxy-2,5-dimethyl-2-(4,8,12,16,20,24,28,32,36-nonamethyl-3,7,11,15,19,23,27,31,3

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Store at -20°C. Store In the Dark. This product is air and light sensitive and impurities can occur as a result of air oxidation or due to metabolism by microbes.

Specifications

Sinónimos

UNII-1EU272IO2S | Ubichromenol (90%) | UBICHROMENOL 50 [MI] | Ubichromenol (>80per cent) | Ubichromenol | DTXSID501318061 | Coenzyme Q10 (Ubiquinones ) | (R-(all-E))-7,8-Dimethoxy-2,5-dimethyl-2-(4,8,12,16,20,24,28,32,36-nonamethyl-3,7,11,15,19,23,27,31,3

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

• Sorrisos canónicos: CC1=C2C=CC(OC2=C(C(=C1O)OC)OC)(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
• IUPAC Name: (2R)-7,8-dimethoxy-2,5-dimethyl-2-[(3E,7E,11E,15E,19E,23E,27E,31E)-4,8,12,16,20,24,28,32,36-nonamethylheptatriaconta-3,7,11,15,19,23,27,31,35-nonaenyl]chromen-6-ol
• InChIKey: ARZCDYVIZADZJN-QXCSMICNSA-N
• INCHI: 1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-42-59(12)43-41-54-53(11)55(60)57(61-13)58(62-14)56(54)63-59/h24,26,28,30,32,34,36,38,40-41,43,60H,15-23,25,27,29,31,33,35,37,39,42H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+/t59-/m1/s1
• SMILES isoméricas: CC1=C2C=C[C@@](OC2=C(C(=C1O)OC)OC)(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C
• PubChem CID: 6443757
• Peso molecular: 863.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Polyterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Polyterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyterpenoids
• Alternative Parents: 1-benzopyrans Anisoles Alkyl aryl ethers Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Polyterpenoid - 1-benzopyran - Benzopyran - Anisole - Alkyl aryl ether - Benzenoid - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as polyterpenoids. These are terpenoids consisting of more than eight isoprene units.
• External Descriptors: Not available

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

Propriedades químicas e físicas

• Sensibilidade: air and light sensitive
• Peso molecular: 863.300 g/mol
• XLogP3: 19.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 29
• Exact Mass: 862.684 Da
• Monoisotopic Mass: 862.684 Da
• Topological Polar Surface Area: 47.900 Ų
• Heavy Atom Count: 63
• Formal Charge: 0
• Complexity: 1650.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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