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

CAS: 17990-16-8 Cat. No.: C358146 分子式: C₂₀H₃₄O 分子量: 290.48 EC番号: 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

概要

(+)-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

同義語

(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

仕様と純度

Moligand™, ≥95%

保管条件

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

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

純度

≥95%

名前と識別子

• パブケム・シド: 504759749
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504759749
• カノニカル・スマイル: 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
• 異性体SMILES: C/C(=C/C[C@@H]1[C@]2(CCCC([C@@H]2CC[C@@]1(C)O)(C)C)C)/C=C
• 分子量: 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
    • 分類 Prenol lipids
      • Subclass Diterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Chloroform (Slightly), Ethyl Acetate (Slightly)
• 感度: light sensitive
• 融点（°C）: 39-42° C
• 分子量: 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