rac-5,7-Dimethyltocol - ≥95% , CAS No.493-35-6

CAS: 493-35-6 Cat. No.: R275879 Formula: C₂₈H₄₈O₂ Peso molecolare: 416.68 PubChem CID: 9823230

GRADE & PURITY ≥95%

Synonyms

SCHEMBL1258674 | AKOS040754664 | 2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol | 5,7-Dimethyltocol | z2-Tocopherol | (+/-)-5,7-Dimethyltocol | (??)-5,7-Dimethyltocol

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Panoramica

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinonimi

SCHEMBL1258674 | AKOS040754664 | 2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol | 5,7-Dimethyltocol | z2-Tocopherol | (+/-)-5,7-Dimethyltocol | (??)-5,7-Dimethyltocol

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at -20°C,Desiccated

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

CC1=CC2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C

IUPAC Name

2,5,7-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol

InChIKey

WZVWUSABZGIQJZ-UHFFFAOYSA-N

INCHI

1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)27(29)23(5)19-26(25)30-28/h19-22,29H,8-18H2,1-7H3

Isomeri SMILES

CC1=CC2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C

PubChem CID

9823230

Peso molecolare

416.68

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Diterpenoids
• Alternative Parents: 1-benzopyrans Alkyl aryl ethers Benzenoids Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diterpenoid - 1-benzopyran - Benzopyran - Chromane - Alkyl aryl ether - Benzenoid - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four 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

Proprietà chimiche e fisiche

• Solubilità: Supplied in hexane (50 mg/ml)
• Peso molecolare: 416.700 g/mol
• XLogP3: 10.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 416.365 Da
• Monoisotopic Mass: 416.365 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 475.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1