(S)-cis-verbenol - ≥96%, mistura de isómeros , CAS No.18881-04-4

CAS: 18881-04-4 Cat. No.: C337208 Fórmula: C₁₀H₁₆O Peso molecular: 152.23 Número CE: 242-645-2

GRADE & PURITY ≥96%, mixture of isomers

Synonyms

AS-70919 | Benzoiltilecgonina | XR9T57F48T | (-)-cis-Verbenol | Biciclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimetil-, (1S,2S,5S)- | Verbenol, (S)-cis- | Biciclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimetil-, (1R,2R,5R)-rel- | SCHEMBL1302577 | Hemisulfato de debrisoquina

Storage

Temperatura ambiente

Shipped In

Normal

Visão geral

Descrição do produto:

o (S)-cis-verbenol é um componente de feromona de agregação nos escaravelhos da casca. Apresenta potentes actividades anti-oxidativas e anti-inflamatórias.

Specifications

Sinónimos

AS-70919 | Benzoiltilecgonina | XR9T57F48T | (-)-cis-Verbenol | Biciclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimetil-, (1S,2S,5S)- | Verbenol, (S)-cis- | Biciclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimetil-, (1R,2R,5R)-rel- | SCHEMBL1302577 | Hemisulfato de debrisoquina

Especificações e pureza

≥96%, mistura de isómeros

Condições de armazenamento de armazenamento

Temperatura ambiente

Enviado em

Normal

Pureza

≥96%

Nomes e identificadores

Pubchem Sid

488186447

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186447

Sorrisos canónicos

CC1=CC(C2CC1C2(C)C)O

IUPAC Name

(1S,2S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol

InChIKey

WONIGEXYPVIKFS-YIZRAAEISA-N

INCHI

1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9-/m0/s1

SMILES isoméricas

CC1=C[C@@H]([C@H]2C[C@@H]1C2(C)C)O

WGK Alemanha

3

Peso molecular

152.23

Reaxy-Rn

1861458

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1861458&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Secondary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Pinane monoterpenoid - Bicyclic monoterpenoid - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• 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

• Rotação específica [α]: α20D-9° in chloroform; α20D+10° in ethanol
• Ponto de inflamação (°C): 87℃
• Ponto de fusão (°C): 62-65° C (lit.)
• Peso molecular: 152.230 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 152.12 Da
• Monoisotopic Mass: 152.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 215.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 18881-04-4, the molecular formula is C10H16O, and the molecular weight is 152.23 g/mol. InChIKey WONIGEXYPVIKFS-YIZRAAEISA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.