(+)-cis-Abienol - Moligand™, ≥95% , CAS No.17990-16-8

CAS: 17990-16-8 Cat. No.: C358146 Formula: C₂₀H₃₄O Peso molecolare: 290.48 Numero EC: 863-116-8

GRADE & PURITY Moligand™, ≥95%

Synonyms

(1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol | Abienol, cis- | 77970B04CL | UNII-77970B04CL | (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-((Z)-3-methylpenta-2,4-dien-1-yl)decahydronaphthalen-2

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Panoramica

(+)-cis-Abienol functions as a potential inhibitor of certain enzymes involved in cellular processes. It interacts with specific molecular targets, disrupting their normal activity and potentially influencing the regulation of biochemical pathways. By binding to specific sites on these enzymes, (+)-cis-Abienol may interfere with their normal function, leading to potential alterations in cellular processes. Its mechanism of action involves the disruption of molecular interactions and the potential inhibition of enzymatic activity, which could have implications for the regulation of biological pathways. (+)-Cis-Abienol′s interaction with cellular components may provide insights into the underlying mechanisms of certain biochemical processes, contributing to the understanding of fundamental cellular functions.

Product Application：

(+)-cis-Abienol is used in the synthesis of diols as well as in products requiring flavors or fragrances.

Specifications

Sinonimi

(1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol | Abienol, cis- | 77970B04CL | UNII-77970B04CL | (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-((Z)-3-methylpenta-2,4-dien-1-yl)decahydronaphthalen-2

Specifiche e purezza

Moligand™, ≥95%

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

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

Grado

Moligand™

Tipo di azione

INHIBITOR

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 504759749
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759749
• Sorrisi canonici: CC(=CCC1C2(CCCC(C2CCC1(C)O)(C)C)C)C=C
• IUPAC Name: (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
• InChIKey: ZAZVCYBIABTSJR-SZAPHMHZSA-N
• INCHI: 1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,9,16-17,21H,1,8,10-14H2,2-6H3/b15-9-/t16-,17+,19-,20+/m0/s1
• Isomeri SMILES: C/C(=C/C[C@@H]1[C@]2(CCCC([C@@H]2CC[C@@]1(C)O)(C)C)C)/C=C
• Peso molecolare: 290.48
• Reaxy-Rn: 2560534
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2560534&ln=

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: Tertiary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Diterpenoid - Labdane diterpenoid - Tertiary alcohol - Cyclic alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic 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: tertiary alcohol - labdane diterpenoid

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: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Sensibilità: light sensitive
• Punto di fusione (°C): 39-42° C
• Peso molecolare: 290.500 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 290.261 Da
• Monoisotopic Mass: 290.261 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 433.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1